disodium (6E)-4-azanyl-3-[[4-[4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]phenyl]phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: disodium (6E)-4-azanyl-3-[[4-[4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]phenyl]phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: disodium (6E)-4-amino-3-[4-[4-(2,4-diamino-5-methyl-phenyl)azophenyl]phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: disodium (6E)-4-amino-3-[4-[4-(2,4-diamino-5-methylphenyl)azophenyl]phenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: disodium (6E)-4-amino-3-[[4-[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: disodium (6E)-4-amino-3-[4-[4-(2,4-diamino-5-methyl-phenyl)azophenyl]phenyl]azo-5-keto-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C35H27N9Na2O7S2 MolecularWeight: 795.75452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=C5C=C(C(=NNC6=CC=CC=C6)C(=O)C5=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=C5C=C(/C(=N/NC6=CC=CC=C6)/C(=O)C5=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C35H29N9O7S2.2Na/c1-19-15-28(27(37)18-26(19)36)42-39-24-11-7-20(8-12-24)21-9-13-25(14-10-21)41-43-33-29(52(46,47)48)16-22-17-30(53(49,50)51)34(35(45)31(22)32(33)38)44-40-23-5-3-2-4-6-23;;/h2-18,40H,36-38H2,1H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b42-39?,43-41?,44-34-;;