5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Formula: C31H34O4S MolecularWeight: 502.66426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C31H34O4S/c1-21-17-27(25(30(2,3)4)18-23(21)20-32)36-28-26(33)19-31(35-29(28)34,24-13-9-6-10-14-24)16-15-22-11-7-5-8-12-22/h5-14,17-18,32,34H,15-16,19-20H2,1-4H3