disodium 7-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azonaphthalene-1,3-disulfonate Formula: C24H18N4Na2O7S2 MolecularWeight: 584.53186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H20N4O7S2.2Na/c1-14-10-18(26-24(29)15-2-5-17(25)6-3-15)8-9-22(14)28-27-19-7-4-16-11-20(36(30,31)32)13-23(21(16)12-19)37(33,34)35;;/h2-13H,25H2,1H3,(H,26,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2