calcium 1-azanyl-4-[(4-methyl-2-sulfonato-phenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: calcium 1-azanyl-4-[(4-methyl-2-sulfonato-phenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: calcium 1-amino-4-(4-methyl-2-sulfonato-phenyl)azo-naphthalene-2-sulfonate CAS Name: calcium 1-amino-4-(4-methyl-2-sulfonatophenyl)azo-2-naphthalenesulfonate IUPAC Name: calcium 1-amino-4-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: calcium 1-amino-4-(4-methyl-2-sulfonato-phenyl)azo-naphthalene-2-sulfonate Formula: C17H13CaN3O6S2 MolecularWeight: 459.50962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=CC(=C(C3=CC=CC=C32)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=CC(=C(C3=CC=CC=C32)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C17H15N3O6S2.Ca/c1-10-6-7-13(15(8-10)27(21,22)23)19-20-14-9-16(28(24,25)26)17(18)12-5-3-2-4-11(12)14;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);/q;+2/p-2