[9-(2-ethoxycarbonylphenyl)-6-ethylamino-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium; 4-[4-[4-[(4-methoxyphenyl)-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]-2-methyl-phenyl]diazenyl-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate

Molecular Formula: C98H98N12O15S2


InChI: InChI=1/C42H38N8O9S2.2C28H30N2O3/c1-24-22-29(8-20-36(24)43-45-39-26(3)47-49(41(39)51)31-10-16-34(17-11-31)60(53,54)55)38(28-6-14-33(59-5)15-7-28)30-9-21-37(25(2)23-30)44-46-40-27(4)48-50(42(40)52)32-12-18-35(19-13-32)61(56,57)58;2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h6-23,38-40H,1-5H3,(H,53,54,55)(H,56,57,58);2*9-16,29H,6-8H2,1-5H3/b;2*30-24+/fC42H36N8O9S2.2C28H31N2O3/h;2*30H/q-2;2*+1/b

InChIKey: InChIKey=BNBCHYKWDVQGTM-DGAWNUOFDS
SMILES: CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)[O-])C)C)N=NC6C(=NN(C6=O)C7=CC=C(C=C7)S(=O)(=O)[O-])C

Names:
    Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, salt with 4,4'-(((4-methoxyphenyl)methylene)bis((2-methyl-4,1-phenylene)azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(benzenesulfonic acid) (2:1)
    Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, salt with
    4,4'-(((4-Methoxyphenyl)methylene)bis((2-methyl-4,1-phenylene)azo))bis(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl), compd. with benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester (1:2)
    73003-87-9
    [9-(2-ethoxycarbonylphenyl)-6-ethylamino-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium; 4-[4-[4-[(4-methoxyphenyl)-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]-2-methyl-phenyl]diazenyl-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate

Registries:
    PubChem CID 11979420
    PubChem ID 217217