2-[2-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(4-hydroxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(4-hydroxy-4-keto-butyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H15NO5S/c15-11(14-7-3-6-12(16)17)8-20-10-5-2-1-4-9(10)13(18)19/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17)(H,18,19)