6-butyl-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-butyl-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-butyl-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-butyl-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-butyl-4-methyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-butyl-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C17H20O2S MolecularWeight: 288.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

Isomeric SMILES

CCCCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

InChI

InChI=1S/C17H20O2S/c1-3-4-10-14-16(19)11-15(18)12(2)17(14)20-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3