2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(4-bromophenyl)thio]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(4-bromophenyl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C14H14BrO2S- MolecularWeight: 326.22876

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)[O-])C

InChI

InChI=1S/C14H15BrO2S/c1-14(2)7-11(16)13(12(17)8-14)18-10-5-3-9(15)4-6-10/h3-6,16H,7-8H2,1-2H3/p-1