4-(2-methanoyl-4-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-methanoyl-4-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(2-formyl-4-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(2-formyl-4-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(2-formyl-4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(2-formyl-4-nitro-phenyl)thio]benzoic acid Formula: C14H9NO5S MolecularWeight: 303.28996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C14H9NO5S/c16-8-10-7-11(15(19)20)3-6-13(10)21-12-4-1-9(2-5-12)14(17)18/h1-8H,(H,17,18)