7-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonic acid; sodium

Systemtic Name: 7-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonic acid; sodium Openeye Name: 7-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azonaphthalene-1,3-disulfonic acid; sodium CAS Name: 7-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azonaphthalene-1,3-disulfonic acid; sodium IUPAC Name: 7-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid; sodium Traditional Name: 7-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azonaphthalene-1,3-disulfonic acid; sodium Formula: C24H20N4NaO7S2 MolecularWeight: 563.55797

Click to see the large picture

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]

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]

InChI

InChI=1S/C24H20N4O7S2.Na/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);