5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one Formula: C27H34O3S MolecularWeight: 438.62206

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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=CC=C3)C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H34O3S/c1-18(2)27(15-14-20-10-8-7-9-11-20)17-22(28)24(25(29)30-27)31-23-16-19(3)12-13-21(23)26(4,5)6/h7-13,16,18,29H,14-15,17H2,1-6H3