2-[(4-methylphenyl)sulfonylmethyl]-4-nitro-phenolate

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-(p-tolylsulfonylmethyl)phenolate CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-4-nitrophenolate IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-4-nitrophenolate Traditional Name: 4-nitro-2-(tosylmethyl)phenolate Formula: C14H12NO5S- MolecularWeight: 306.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H13NO5S/c1-10-2-5-13(6-3-10)21(19,20)9-11-8-12(15(17)18)4-7-14(11)16/h2-8,16H,9H2,1H3/p-1