disodium 4-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-5-(phenylsulfonyloxy)naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-5-(phenylsulfonyloxy)naphthalene-2,7-disulfonate Openeye Name: disodium 4-(4-amino-5-methoxy-2-methyl-phenyl)azo-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonate CAS Name: disodium 4-(4-amino-5-methoxy-2-methylphenyl)azo-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonate IUPAC Name: disodium 4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonate Traditional Name: disodium 4-(4-amino-5-methoxy-2-methyl-phenyl)azo-5-besyloxy-naphthalene-2,7-disulfonate Formula: C24H19N3Na2O10S3 MolecularWeight: 651.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)[O-])OC)N.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)[O-])OC)N.[Na+].[Na+]

InChI

InChI=1S/C24H21N3O10S3.2Na/c1-14-8-19(25)22(36-2)13-20(14)26-27-21-11-17(38(28,29)30)9-15-10-18(39(31,32)33)12-23(24(15)21)37-40(34,35)16-6-4-3-5-7-16;;/h3-13H,25H2,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2