7-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)-2-phenyl-heptanethioic S-acid

Systemtic Name: 7-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)-2-phenyl-heptanethioic S-acid Openeye Name: 7-(3-hydroxy-5-oxo-cyclopenten-1-yl)-2-phenyl-heptanethioic S-acid CAS Name: 7-(3-hydroxy-5-oxo-1-cyclopentenyl)-2-phenylheptanethioic S-acid IUPAC Name: 7-(3-hydroxy-5-oxocyclopenten-1-yl)-2-phenylheptanethioic S-acid Traditional Name: 7-(3-hydroxy-5-keto-cyclopenten-1-yl)-2-phenyl-thioenanthic acid Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3S/c19-15-11-14(17(20)12-15)9-5-2-6-10-16(18(21)22)13-7-3-1-4-8-13/h1,3-4,7-8,11,15-16,19H,2,5-6,9-10,12H2,(H,21,22)