5-[3-(butylsulfanylmethyl)-2,4,6-trimethyl-phenyl]-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[3-(butylsulfanylmethyl)-2,4,6-trimethyl-phenyl]-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-[3-(butylsulfanylmethyl)-2,4,6-trimethyl-phenyl]-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-[3-[(butylthio)methyl]-2,4,6-trimethylphenyl]-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-[3-(butylsulfanylmethyl)-2,4,6-trimethylphenyl]-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-[3-[(butylthio)methyl]-2,4,6-trimethyl-phenyl]-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C24H34O3S MolecularWeight: 402.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(C=C(C(=C1C)C2CC(=O)C(=C(CCC)O)C(=O)C2)C)C

Isomeric SMILES

CCCCSCC1=C(C=C(C(=C1C)C2CC(=O)C(=C(CCC)O)C(=O)C2)C)C

InChI

InChI=1S/C24H34O3S/c1-6-8-10-28-14-19-15(3)11-16(4)23(17(19)5)18-12-21(26)24(22(27)13-18)20(25)9-7-2/h11,18,25H,6-10,12-14H2,1-5H3