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5-ethanoyl-2-sulfanyl-benzoic acid

5-ethanoyl-2-sulfanyl-benzoic acid

Systemtic Name:5-ethanoyl-2-sulfanyl-benzoic acid
Openeye Name:5-acetyl-2-sulfanyl-benzoic acid
CAS Name:5-acetyl-2-mercaptobenzoic acid
IUPAC Name:5-acetyl-2-sulfanylbenzoic acid
Traditional Name:5-acetyl-2-mercapto-benzoic acid
Formula: C9H8O3S
MolecularWeight: 196.22302
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H8O3S/c1-5(10)6-2-3-8(13)7(4-6)9(11)12/h2-4,13H,1H3,(H,11,12)


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