7-[(2-acetamido-4-azanyl-phenyl)diazenyl]-3-methyl-naphthalene-1,6-disulfonic acid

Systemtic Name: 7-[(2-acetamido-4-azanyl-phenyl)diazenyl]-3-methyl-naphthalene-1,6-disulfonic acid Openeye Name: 7-(2-acetamido-4-amino-phenyl)azo-3-methyl-naphthalene-1,6-disulfonic acid CAS Name: 7-(2-acetamido-4-aminophenyl)azo-3-methylnaphthalene-1,6-disulfonic acid IUPAC Name: 7-[(2-acetamido-4-aminophenyl)diazenyl]-3-methylnaphthalene-1,6-disulfonic acid Traditional Name: 7-(2-acetamido-4-amino-phenyl)azo-3-methyl-naphthalene-1,6-disulfonic acid Formula: C19H18N4O7S2 MolecularWeight: 478.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=CC2=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3)N)NC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C2C=C(C(=CC2=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3)N)NC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C19H18N4O7S2/c1-10-5-12-7-19(32(28,29)30)17(9-14(12)18(6-10)31(25,26)27)23-22-15-4-3-13(20)8-16(15)21-11(2)24/h3-9H,20H2,1-2H3,(H,21,24)(H,25,26,27)(H,28,29,30)