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

Systemtic Name: 6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-naphthalen-2-ylsulfanyl-oxane-2,4-dione Openeye Name: 6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-(2-naphthylsulfanyl)tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-(2-naphthalenylthio)oxane-2,4-dione IUPAC Name: 6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-naphthalen-2-ylsulfanyloxane-2,4-dione Traditional Name: 6-cyclopentyl-6-[2-(4-hydroxyphenyl)ethyl]-3-(2-naphthylthio)tetrahydropyran-2,4-quinone Formula: C28H28O4S MolecularWeight: 460.58452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)C(C(=O)O2)SC3=CC4=CC=CC=C4C=C3)CCC5=CC=C(C=C5)O

Isomeric SMILES

C1CCC(C1)C2(CC(=O)C(C(=O)O2)SC3=CC4=CC=CC=C4C=C3)CCC5=CC=C(C=C5)O

InChI

InChI=1S/C28H28O4S/c29-23-12-9-19(10-13-23)15-16-28(22-7-3-4-8-22)18-25(30)26(27(31)32-28)33-24-14-11-20-5-1-2-6-21(20)17-24/h1-2,5-6,9-14,17,22,26,29H,3-4,7-8,15-16,18H2