require_once( "../navigation.include" ); ?>
check_image( "../cid_images/cid_77073.png" ); ?>
check_image( "../cid_thumbs/cid_4845518.png" ); ?>
check_image( "../cid_thumbs/cid_6276092.png" ); ?>
check_image( "../cid_thumbs/cid_6414555.png" ); ?>
check_image( "../cid_thumbs/cid_186113.png" ); ?>
check_image( "../cid_thumbs/cid_2999154.png" ); ?>
check_image( "../cid_thumbs/cid_4697791.png" ); ?>
check_image( "../cid_thumbs/cid_221437.png" ); ?>
check_image( "../cid_thumbs/cid_30104.png" ); ?>
check_image( "../cid_thumbs/cid_3590463.png" ); ?>
check_image( "../cid_thumbs/cid_159427.png" ); ?>
check_image( "../cid_thumbs/cid_4172142.png" ); ?>
check_image( "../cid_thumbs/cid_75383.png" ); ?>
check_image( "../cid_thumbs/cid_6412590.png" ); ?>
check_image( "../cid_thumbs/cid_1619093.png" ); ?>
check_image( "../cid_thumbs/cid_4472463.png" ); ?>
check_image( "../cid_thumbs/cid_3610031.png" ); ?>
check_image( "../cid_thumbs/cid_5415552.png" ); ?>
check_image( "../cid_thumbs/cid_222323.png" ); ?>
check_image( "../cid_thumbs/cid_6310573.png" ); ?>
check_image( "../cid_thumbs/cid_58450.png" ); ?>
check_image( "../cid_thumbs/cid_2890045.png" ); ?>
check_image( "../cid_thumbs/cid_4845518.png" ); ?>
pre_formula_key( "InChIKey=RTMBGDBBDQKNNZ-PRZJCLPSCX", "jqp007/77073.html" ); ?>
pre_formula( "InChI=1/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2/f2C27H31N2O7S2.Ca/h2*30H;/q2*-1;m", "jqp007/77073.html" ); ?>
Molecular Formula:
C54H62CaN4O14S4
InChI: InChI=1/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2/f2C27H31N2O7S2.Ca/h2*30H;/q2*-1;m
InChIKey: InChIKey=RTMBGDBBDQKNNZ-PRZJCLPSCX
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Ca+2]
Names:
calcium 4-[(4-diethylaminophenyl)-(4-diethylazaniumylidene-1-cyclohexa-2,5-dienylidene)methyl]-6-hydroxy-benzene-1,3-disulfonate
name_it( "InChI=1/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2/f2C27H31N2O7S2.Ca/h2*30H;/q2*-1;m", "jqp007/77073.html" ); ?>
Registries:
pre_registry_key( "InChI=1/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2/f2C27H31N2O7S2.Ca/h2*30H;/q2*-1;m", "InChIKey=RTMBGDBBDQKNNZ-PRZJCLPSCX", "jqp007/77073.html" ); ?>
PubChem CID 77073
PubChem ID 8198582
pre_ads_key( "InChIKey=RTMBGDBBDQKNNZ-PRZJCLPSCX", "jqp007/77073.html" ); ?>
pre_ads( "InChI=1/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2/f2C27H31N2O7S2.Ca/h2*30H;/q2*-1;m", "jqp007/77073.html" ); ?>
require_once( "../ads.include" ); ?>
pre_related( "InChI=1/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2/f2C27H31N2O7S2.Ca/h2*30H;/q2*-1;m", "jqp007/77073.html" ); ?>