3-[(2,4-dimethyl-5-sulfo-phenyl)diazenyl]-4-oxidanidyl-naphthalene-1-sulfonate

Systemtic Name: 3-[(2,4-dimethyl-5-sulfo-phenyl)diazenyl]-4-oxidanidyl-naphthalene-1-sulfonate Openeye Name: 3-(2,4-dimethyl-5-sulfo-phenyl)azo-4-oxido-naphthalene-1-sulfonate CAS Name: 3-(2,4-dimethyl-5-sulfophenyl)azo-4-oxido-1-naphthalenesulfonate IUPAC Name: 3-[(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-oxidonaphthalene-1-sulfonate Traditional Name: 3-(2,4-dimethyl-5-sulfo-phenyl)azo-4-oxido-naphthalene-1-sulfonate Formula: C18H14N2O7S2-2 MolecularWeight: 434.44296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])[O-])S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])[O-])S(=O)(=O)O)C

InChI

InChI=1S/C18H16N2O7S2/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/p-2