6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-(phenylmethylsulfanyl)oxane-2,4-dione

Systemtic Name: 6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-(phenylmethylsulfanyl)oxane-2,4-dione Openeye Name: 3-benzylsulfanyl-6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-(phenylmethylthio)oxane-2,4-dione IUPAC Name: 3-benzylsulfanyl-6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]oxane-2,4-dione Traditional Name: 3-(benzylthio)-6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]tetrahydropyran-2,4-quinone Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)C(C(=O)O2)SCC3=CC=CC=C3)CCC4=CC=C(C=C4)O

Isomeric SMILES

C1CCC(C1)C2(CC(=O)C(C(=O)O2)SCC3=CC=CC=C3)CCC4=CC=C(C=C4)O

InChI

InChI=1S/C25H28O4S/c26-21-12-10-18(11-13-21)14-15-25(20-8-4-5-9-20)16-22(27)23(24(28)29-25)30-17-19-6-2-1-3-7-19/h1-3,6-7,10-13,20,23,26H,4-5,8-9,14-17H2