3-(2-oxidanylidenecyclohexyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-oxidanylidenecyclohexyl)sulfanylpropanoic acid Openeye Name: 3-(2-oxocyclohexyl)sulfanylpropanoic acid CAS Name: 3-[(2-oxocyclohexyl)thio]propanoic acid IUPAC Name: 3-(2-oxocyclohexyl)sulfanylpropanoic acid Traditional Name: 3-[(2-ketocyclohexyl)thio]propionic acid Formula: C9H14O3S MolecularWeight: 202.27066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SCCC(=O)O

Isomeric SMILES

C1CCC(=O)C(C1)SCCC(=O)O

InChI

InChI=1S/C9H14O3S/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h8H,1-6H2,(H,11,12)