3-(oxan-2-yloxy)-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 3-(oxan-2-yloxy)-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 5-oxo-2-(phenylsulfanylmethyl)-3-tetrahydropyran-2-yloxy-cyclopentanecarboxylic acid CAS Name: 3-(2-oxanyloxy)-5-oxo-2-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 3-(oxan-2-yloxy)-5-oxo-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 5-keto-2-[(phenylthio)methyl]-3-tetrahydropyran-2-yloxy-cyclopentanecarboxylic acid Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2CC(=O)C(C2CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC2CC(=O)C(C2CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H22O5S/c19-14-10-15(23-16-8-4-5-9-22-16)13(17(14)18(20)21)11-24-12-6-2-1-3-7-12/h1-3,6-7,13,15-17H,4-5,8-11H2,(H,20,21)