5-[2-tert-butyl-4-(hydroxymethyl)phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)phenyl]sulfanyl-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)phenyl]thio]-6-hydroxy-2-propan-2-yl-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)phenyl]sulfanyl-6-hydroxy-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one Formula: C25H32O4S2 MolecularWeight: 460.64918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C(C=C2)CO)C(C)(C)C)CCC3=CSC=C3

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C(C=C2)CO)C(C)(C)C)CCC3=CSC=C3

InChI

InChI=1S/C25H32O4S2/c1-16(2)25(10-8-17-9-11-30-15-17)13-20(27)22(23(28)29-25)31-21-7-6-18(14-26)12-19(21)24(3,4)5/h6-7,9,11-12,15-16,26,28H,8,10,13-14H2,1-5H3