2-[[2-acetamido-4-[(2-azanyl-6-methyl-phenyl)diazenyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid

Systemtic Name: 2-[[2-acetamido-4-[(2-azanyl-6-methyl-phenyl)diazenyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid Openeye Name: 2-[2-acetamido-4-(2-amino-6-methyl-phenyl)azo-phenyl]azonaphthalene-1,7-disulfonic acid CAS Name: 2-[2-acetamido-4-(2-amino-6-methylphenyl)azophenyl]azonaphthalene-1,7-disulfonic acid IUPAC Name: 2-[[2-acetamido-4-[(2-amino-6-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid Traditional Name: 2-[2-acetamido-4-(2-amino-6-methyl-phenyl)azo-phenyl]azonaphthalene-1,7-disulfonic acid Formula: C25H22N6O7S2 MolecularWeight: 582.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N)N=NC2=CC(=C(C=C2)N=NC3=C(C4=C(C=CC(=C4)S(=O)(=O)O)C=C3)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N)N=NC2=CC(=C(C=C2)N=NC3=C(C4=C(C=CC(=C4)S(=O)(=O)O)C=C3)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C25H22N6O7S2/c1-14-4-3-5-20(26)24(14)31-28-17-8-11-21(23(12-17)27-15(2)32)29-30-22-10-7-16-6-9-18(39(33,34)35)13-19(16)25(22)40(36,37)38/h3-13H,26H2,1-2H3,(H,27,32)(H,33,34,35)(H,36,37,38)