2-(4-oxidanyl-4-oxidanylidene-butoxy)-3-sulfanyl-benzoic acid

Systemtic Name: 2-(4-oxidanyl-4-oxidanylidene-butoxy)-3-sulfanyl-benzoic acid Openeye Name: 2-(4-hydroxy-4-oxo-butoxy)-3-sulfanyl-benzoic acid CAS Name: 2-(4-hydroxy-4-oxobutoxy)-3-mercaptobenzoic acid IUPAC Name: 2-(4-hydroxy-4-oxobutoxy)-3-sulfanylbenzoic acid Traditional Name: 2-(4-hydroxy-4-keto-butoxy)-3-mercapto-benzoic acid Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S)OCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)S)OCCCC(=O)O)C(=O)O

InChI

InChI=1S/C11H12O5S/c12-9(13)5-2-6-16-10-7(11(14)15)3-1-4-8(10)17/h1,3-4,17H,2,5-6H2,(H,12,13)(H,14,15)