4-(4-methoxyphenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(4-methoxyphenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(4-methoxyphenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(4-methoxyphenyl)thio]-3-nitro-benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5S/c1-20-10-3-5-11(6-4-10)21-13-7-2-9(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17)