4-chloranyl-3-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)oxy-benzoic acid

Systemtic Name: 4-chloranyl-3-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)oxy-benzoic acid Openeye Name: 3-(1-carboxy-4-sulfanyl-butoxy)-4-chloro-benzoic acid CAS Name: 4-chloro-3-(1-hydroxy-5-mercapto-1-oxopentan-2-yl)oxybenzoic acid IUPAC Name: 4-chloro-3-(1-hydroxy-1-oxo-5-sulfanylpentan-2-yl)oxybenzoic acid Traditional Name: 3-(1-carboxy-4-mercapto-butoxy)-4-chloro-benzoic acid Formula: C12H13ClO5S MolecularWeight: 304.74662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)OC(CCCS)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)OC(CCCS)C(=O)O)Cl

InChI

InChI=1S/C12H13ClO5S/c13-8-4-3-7(11(14)15)6-10(8)18-9(12(16)17)2-1-5-19/h3-4,6,9,19H,1-2,5H2,(H,14,15)(H,16,17)