(4-methyl-2-nitro-phenyl) naphthalene-2-sulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) naphthalene-2-sulfonate Openeye Name: (4-methyl-2-nitro-phenyl) naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C17H13NO5S MolecularWeight: 343.35382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5S/c1-12-6-9-17(16(10-12)18(19)20)23-24(21,22)15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,1H3