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

Systemtic Name: 5-(4-butylsulfanylphenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(4-butylsulfanylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-[4-(butylthio)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(4-butylsulfanylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-[4-(butylthio)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C19H24O3S MolecularWeight: 332.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O3S/c1-3-5-10-23-15-8-6-13(7-9-15)14-11-17(21)19(16(20)4-2)18(22)12-14/h6-9,14,20H,3-5,10-12H2,1-2H3