5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopropyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopropyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one CAS Name: 5-[(2-tert-butyl-5-methylphenyl)thio]-2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-(2-tert-butyl-5-methylphenyl)sulfanyl-2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-phenyl)thio]-2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Formula: C27H32O4S MolecularWeight: 452.60558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CC4)O

InChI

InChI=1S/C27H32O4S/c1-17-5-12-21(26(2,3)4)23(15-17)32-24-22(29)16-27(19-8-9-19,31-25(24)30)14-13-18-6-10-20(28)11-7-18/h5-7,10-12,15,19,28,30H,8-9,13-14,16H2,1-4H3