5-methylcyclohexa-1,3-diene; 3-methyl-4-methylsulfanyl-pentan-2-one

Systemtic Name: 5-methylcyclohexa-1,3-diene; 3-methyl-4-methylsulfanyl-pentan-2-one Openeye Name: 5-methylcyclohexa-1,3-diene; 3-methyl-4-methylsulfanyl-pentan-2-one CAS Name: 5-methylcyclohexa-1,3-diene; 3-methyl-4-(methylthio)-2-pentanone IUPAC Name: 5-methylcyclohexa-1,3-diene; 3-methyl-4-methylsulfanylpentan-2-one Traditional Name: 5-methylcyclohexa-1,3-diene; 3-methyl-4-(methylthio)pentan-2-one Formula: C14H24OS MolecularWeight: 240.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC=C1.CC(C(C)SC)C(=O)C

Isomeric SMILES

CC1CC=CC=C1.CC(C(C)SC)C(=O)C

InChI

InChI=1S/C7H14OS.C7H10/c1-5(6(2)8)7(3)9-4;1-7-5-3-2-4-6-7/h5,7H,1-4H3;2-5,7H,6H2,1H3