1-azanyl-4-[(5-chloranyl-4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(5-chloranyl-4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid Openeye Name: 1-amino-4-(5-chloro-4-methyl-2-sulfo-phenyl)azo-naphthalene-2-sulfonic acid CAS Name: 1-amino-4-(5-chloro-4-methyl-2-sulfophenyl)azo-2-naphthalenesulfonic acid IUPAC Name: 1-amino-4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid Traditional Name: 1-amino-4-(5-chloro-4-methyl-2-sulfo-phenyl)azo-naphthalene-2-sulfonic acid Formula: C17H14ClN3O6S2 MolecularWeight: 455.89256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)N=NC2=CC(=C(C3=CC=CC=C32)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N=NC2=CC(=C(C3=CC=CC=C32)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14ClN3O6S2/c1-9-6-15(28(22,23)24)14(7-12(9)18)21-20-13-8-16(29(25,26)27)17(19)11-5-3-2-4-10(11)13/h2-8H,19H2,1H3,(H,22,23,24)(H,25,26,27)