2-(1-hydroxyethyl)-6-sulfanyl-benzoic acid

Systemtic Name: 2-(1-hydroxyethyl)-6-sulfanyl-benzoic acid Openeye Name: 2-(1-hydroxyethyl)-6-sulfanyl-benzoic acid CAS Name: 2-(1-hydroxyethyl)-6-mercaptobenzoic acid IUPAC Name: 2-(1-hydroxyethyl)-6-sulfanylbenzoic acid Traditional Name: 2-(1-hydroxyethyl)-6-mercapto-benzoic acid Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3S/c1-5(10)6-3-2-4-7(13)8(6)9(11)12/h2-5,10,13H,1H3,(H,11,12)