2-[(3-methoxyphenyl)sulfanylmethyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(3-methoxyphenyl)sulfanylmethyl]-6-nitro-benzoic acid Openeye Name: 2-[(3-methoxyphenyl)sulfanylmethyl]-6-nitro-benzoic acid CAS Name: 2-[[(3-methoxyphenyl)thio]methyl]-6-nitrobenzoic acid IUPAC Name: 2-[(3-methoxyphenyl)sulfanylmethyl]-6-nitrobenzoic acid Traditional Name: 2-[[(3-methoxyphenyl)thio]methyl]-6-nitro-benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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