6-cyclopentyl-6-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-phenylsulfanyl-oxane-2,4-dione

Systemtic Name: 6-cyclopentyl-6-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-phenylsulfanyl-oxane-2,4-dione Openeye Name: 6-cyclopentyl-6-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-phenylsulfanyl-tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-6-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-(phenylthio)oxane-2,4-dione IUPAC Name: 6-cyclopentyl-6-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-phenylsulfanyloxane-2,4-dione Traditional Name: 6-cyclopentyl-6-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-(phenylthio)tetrahydropyran-2,4-quinone Formula: C25H24O4S MolecularWeight: 420.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)C(C(=O)O2)SC3=CC=CC=C3)CC#CC4=CC(=CC=C4)O

Isomeric SMILES

C1CCC(C1)C2(CC(=O)C(C(=O)O2)SC3=CC=CC=C3)CC#CC4=CC(=CC=C4)O

InChI

InChI=1S/C25H24O4S/c26-20-12-6-8-18(16-20)9-7-15-25(19-10-4-5-11-19)17-22(27)23(24(28)29-25)30-21-13-2-1-3-14-21/h1-3,6,8,12-14,16,19,23,26H,4-5,10-11,15,17H2