5-(5,5-dimethyl-2H-thiophen-4-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(5,5-dimethyl-2H-thiophen-4-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(5,5-dimethyl-2H-thiophen-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-(5,5-dimethyl-2H-thiophen-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(5,5-dimethyl-2H-thiophen-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-(5,5-dimethyl-2H-thiophen-4-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CCSC2(C)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CCSC2(C)C)O

InChI

InChI=1S/C16H22O3S/c1-4-5-12(17)15-13(18)8-10(9-14(15)19)11-6-7-20-16(11,2)3/h6,10,17H,4-5,7-9H2,1-3H3