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2-ethanoyl-3-sulfanyl-benzoic acid

2-ethanoyl-3-sulfanyl-benzoic acid

Systemtic Name:2-ethanoyl-3-sulfanyl-benzoic acid
Openeye Name:2-acetyl-3-sulfanyl-benzoic acid
CAS Name:2-acetyl-3-mercaptobenzoic acid
IUPAC Name:2-acetyl-3-sulfanylbenzoic acid
Traditional Name:2-acetyl-3-mercapto-benzoic acid
Formula: C9H8O3S
MolecularWeight: 196.22302
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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