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4-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)oxybenzoic acid

4-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)oxybenzoic acid

Systemtic Name:4-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)oxybenzoic acid
Openeye Name:4-(1-carboxy-4-sulfanyl-butoxy)benzoic acid
CAS Name:4-(1-hydroxy-5-mercapto-1-oxopentan-2-yl)oxybenzoic acid
IUPAC Name:4-(1-hydroxy-1-oxo-5-sulfanylpentan-2-yl)oxybenzoic acid
Traditional Name:4-(1-carboxy-4-mercapto-butoxy)benzoic acid
Formula: C12H14O5S
MolecularWeight: 270.30156
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H14O5S/c13-11(14)8-3-5-9(6-4-8)17-10(12(15)16)2-1-7-18/h3-6,10,18H,1-2,7H2,(H,13,14)(H,15,16)


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