3,5,5-trimethyl-6-(4-nitrophenyl)sulfanyl-cyclohex-2-en-1-one

Systemtic Name: 3,5,5-trimethyl-6-(4-nitrophenyl)sulfanyl-cyclohex-2-en-1-one Openeye Name: 3,5,5-trimethyl-6-(4-nitrophenyl)sulfanyl-cyclohex-2-en-1-one CAS Name: 3,5,5-trimethyl-6-[(4-nitrophenyl)thio]-1-cyclohex-2-enone IUPAC Name: 3,5,5-trimethyl-6-(4-nitrophenyl)sulfanylcyclohex-2-en-1-one Traditional Name: 3,5,5-trimethyl-6-[(4-nitrophenyl)thio]cyclohex-2-en-1-one Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3S/c1-10-8-13(17)14(15(2,3)9-10)20-12-6-4-11(5-7-12)16(18)19/h4-8,14H,9H2,1-3H3