ethanol; 2-oxidanyl-5-sulfanyl-benzoic acid

Systemtic Name: ethanol; 2-oxidanyl-5-sulfanyl-benzoic acid Openeye Name: ethanol; 2-hydroxy-5-sulfanyl-benzoic acid CAS Name: ethanol; 2-hydroxy-5-mercaptobenzoic acid IUPAC Name: ethanol; 2-hydroxy-5-sulfanylbenzoic acid Traditional Name: ethanol; 2-hydroxy-5-mercapto-benzoic acid Formula: C9H12O4S MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC(=C(C=C1S)C(=O)O)O

Isomeric SMILES

CCO.C1=CC(=C(C=C1S)C(=O)O)O

InChI

InChI=1S/C7H6O3S.C2H6O/c8-6-2-1-4(11)3-5(6)7(9)10;1-2-3/h1-3,8,11H,(H,9,10);3H,2H2,1H3