4-(3-oxidanylidenebutylsulfanyl)benzoic acid

Systemtic Name: 4-(3-oxidanylidenebutylsulfanyl)benzoic acid Openeye Name: 4-(3-oxobutylsulfanyl)benzoic acid CAS Name: 4-(3-oxobutylthio)benzoic acid IUPAC Name: 4-(3-oxobutylsulfanyl)benzoic acid Traditional Name: 4-(3-ketobutylthio)benzoic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)CCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H12O3S/c1-8(12)6-7-15-10-4-2-9(3-5-10)11(13)14/h2-5H,6-7H2,1H3,(H,13,14)