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3-oxidanylidene-3-phenyl-2-sulfanyl-propanoate

3-oxidanylidene-3-phenyl-2-sulfanyl-propanoate

Systemtic Name:3-oxidanylidene-3-phenyl-2-sulfanyl-propanoate
Openeye Name:3-oxo-3-phenyl-2-sulfanyl-propanoate
CAS Name:2-mercapto-3-oxo-3-phenylpropanoate
IUPAC Name:3-oxo-3-phenyl-2-sulfanylpropanoate
Traditional Name:3-keto-2-mercapto-3-phenyl-propionate
Formula: C9H7O3S-
MolecularWeight: 195.21508
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)[O-])S


Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)[O-])S


InChI

InChI=1S/C9H8O3S/c10-7(8(13)9(11)12)6-4-2-1-3-5-6/h1-5,8,13H,(H,11,12)/p-1


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