2-(2-carboxyphenyl)sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-(2-carboxyphenyl)sulfanyl-5-nitro-benzoic acid Openeye Name: 2-(2-carboxyphenyl)sulfanyl-5-nitro-benzoic acid CAS Name: 2-[(2-carboxyphenyl)thio]-5-nitrobenzoic acid IUPAC Name: 2-(2-carboxyphenyl)sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[(2-carboxyphenyl)thio]-5-nitro-benzoic acid Formula: C14H9NO6S MolecularWeight: 319.28936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9NO6S/c16-13(17)9-3-1-2-4-11(9)22-12-6-5-8(15(20)21)7-10(12)14(18)19/h1-7H,(H,16,17)(H,18,19)