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

Systemtic Name: 5-(4-methylsulfinylphenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(4-methylsulfinylphenyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(4-methylsulfinylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(4-methylsulfinylphenyl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(4-methylsulfinylphenyl)cyclohexane-1,3-quinone Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)S(=O)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)S(=O)C)O

InChI

InChI=1S/C17H20O4S/c1-3-4-14(18)17-15(19)9-12(10-16(17)20)11-5-7-13(8-6-11)22(2)21/h5-8,12,18H,3-4,9-10H2,1-2H3