2-(2-methylheptan-2-yl)-3-sulfanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-(2-methylheptan-2-yl)-3-sulfanyl-cyclohexa-2,5-dien-1-one Openeye Name: 2-(1,1-dimethylhexyl)-3-sulfanyl-cyclohexa-2,5-dien-1-one CAS Name: 3-mercapto-2-(2-methylheptan-2-yl)-1-cyclohexa-2,5-dienone IUPAC Name: 2-(2-methylheptan-2-yl)-3-sulfanylcyclohexa-2,5-dien-1-one Traditional Name: 2-(1,1-dimethylhexyl)-3-mercapto-cyclohexa-2,5-dien-1-one Formula: C14H22OS MolecularWeight: 238.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=C(CC=CC1=O)S

Isomeric SMILES

CCCCCC(C)(C)C1=C(CC=CC1=O)S

InChI

InChI=1S/C14H22OS/c1-4-5-6-10-14(2,3)13-11(15)8-7-9-12(13)16/h7-8,16H,4-6,9-10H2,1-3H3