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

Systemtic Name: 6-cyclopentyl-6-[4-(3-hydroxyphenyl)but-3-ynyl]-3-phenylsulfanyl-oxane-2,4-dione Openeye Name: 6-cyclopentyl-6-[4-(3-hydroxyphenyl)but-3-ynyl]-3-phenylsulfanyl-tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-6-[4-(3-hydroxyphenyl)but-3-ynyl]-3-(phenylthio)oxane-2,4-dione IUPAC Name: 6-cyclopentyl-6-[4-(3-hydroxyphenyl)but-3-ynyl]-3-phenylsulfanyloxane-2,4-dione Traditional Name: 6-cyclopentyl-6-[4-(3-hydroxyphenyl)but-3-ynyl]-3-(phenylthio)tetrahydropyran-2,4-quinone Formula: C26H26O4S MolecularWeight: 434.54724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O4S/c27-21-13-8-10-19(17-21)9-6-7-16-26(20-11-4-5-12-20)18-23(28)24(25(29)30-26)31-22-14-2-1-3-15-22/h1-3,8,10,13-15,17,20,24,27H,4-5,7,11-12,16,18H2