4-[(4-methoxyphenyl)sulfanylmethyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfanylmethyl]-3-nitro-benzoic acid Openeye Name: 4-[(4-methoxyphenyl)sulfanylmethyl]-3-nitro-benzoic acid CAS Name: 4-[[(4-methoxyphenyl)thio]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfanylmethyl]-3-nitrobenzoic acid Traditional Name: 4-[[(4-methoxyphenyl)thio]methyl]-3-nitro-benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-21-12-4-6-13(7-5-12)22-9-11-3-2-10(15(17)18)8-14(11)16(19)20/h2-8H,9H2,1H3,(H,17,18)