7-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)-2-phenylsulfanyl-heptanoic acid

Systemtic Name: 7-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)-2-phenylsulfanyl-heptanoic acid Openeye Name: 7-(3-hydroxy-5-oxo-cyclopenten-1-yl)-2-phenylsulfanyl-heptanoic acid CAS Name: 7-(3-hydroxy-5-oxo-1-cyclopentenyl)-2-(phenylthio)heptanoic acid IUPAC Name: 7-(3-hydroxy-5-oxocyclopenten-1-yl)-2-phenylsulfanylheptanoic acid Traditional Name: 7-(3-hydroxy-5-keto-cyclopenten-1-yl)-2-(phenylthio)enanthic acid Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C(C1=O)CCCCCC(C(=O)O)SC2=CC=CC=C2)O

Isomeric SMILES

C1C(C=C(C1=O)CCCCCC(C(=O)O)SC2=CC=CC=C2)O

InChI

InChI=1S/C18H22O4S/c19-14-11-13(16(20)12-14)7-3-1-6-10-17(18(21)22)23-15-8-4-2-5-9-15/h2,4-5,8-9,11,14,17,19H,1,3,6-7,10,12H2,(H,21,22)