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

Systemtic Name: disodium 7-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azophenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[4-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azophenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azophenyl]azonaphthalene-1,3-disulfonate Formula: C30H22N6Na2O7S2 MolecularWeight: 688.64122

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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=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)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=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H24N6O7S2.2Na/c1-18-14-24(32-30(37)19-2-5-21(31)6-3-19)12-13-28(18)36-34-23-10-8-22(9-11-23)33-35-25-7-4-20-15-26(44(38,39)40)17-29(27(20)16-25)45(41,42)43;;/h2-17H,31H2,1H3,(H,32,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2