6-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-6-cyclopentyl-3-phenylsulfanyl-oxane-2,4-dione

Systemtic Name: 6-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-6-cyclopentyl-3-phenylsulfanyl-oxane-2,4-dione Openeye Name: 6-[2-(3-chloro-4-methoxy-phenyl)ethyl]-6-cyclopentyl-3-phenylsulfanyl-tetrahydropyran-2,4-dione CAS Name: 6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-(phenylthio)oxane-2,4-dione IUPAC Name: 6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-phenylsulfanyloxane-2,4-dione Traditional Name: 6-[2-(3-chloro-4-methoxy-phenyl)ethyl]-6-cyclopentyl-3-(phenylthio)tetrahydropyran-2,4-quinone Formula: C25H27ClO4S MolecularWeight: 458.99748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2(CC(=O)C(C(=O)O2)SC3=CC=CC=C3)C4CCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2(CC(=O)C(C(=O)O2)SC3=CC=CC=C3)C4CCCC4)Cl

InChI

InChI=1S/C25H27ClO4S/c1-29-22-12-11-17(15-20(22)26)13-14-25(18-7-5-6-8-18)16-21(27)23(24(28)30-25)31-19-9-3-2-4-10-19/h2-4,9-12,15,18,23H,5-8,13-14,16H2,1H3