5-(4-butylsulfanylphenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(4-butylsulfanylphenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(4-butylsulfanylphenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-[4-(butylthio)phenyl]-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(4-butylsulfanylphenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-[4-(butylthio)phenyl]-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2CC(=O)C(=C(CCC)O)C(=O)C2

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2CC(=O)C(=C(CCC)O)C(=O)C2

InChI

InChI=1S/C20H26O3S/c1-3-5-11-24-16-9-7-14(8-10-16)15-12-18(22)20(19(23)13-15)17(21)6-4-2/h7-10,15,21H,3-6,11-13H2,1-2H3