calcium 4-[(4-diethylaminophenyl)-(4-diethylazaniumylidene-1-cyclohexa-2,5-dienylidene)methyl]-6-hydroxy-benzene-1,3-disulfonate
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
Registries:
PubChem CID 77073
PubChem ID 8198582
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