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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H15NO5S/c15-11(14-7-1-2-12(16)17)8-20-10-5-3-9(4-6-10)13(18)19/h3-6H,1-2,7-8H2,(H,14,15)(H,16,17)(H,18,19)