2,4-dinitro-1-[2-(4-propan-2-ylphenyl)cyclohex-2-en-1-yl]sulfanyl-benzene

Systemtic Name: 2,4-dinitro-1-[2-(4-propan-2-ylphenyl)cyclohex-2-en-1-yl]sulfanyl-benzene Openeye Name: 1-[2-(4-isopropylphenyl)cyclohex-2-en-1-yl]sulfanyl-2,4-dinitro-benzene CAS Name: 2,4-dinitro-1-[[2-(4-propan-2-ylphenyl)-1-cyclohex-2-enyl]thio]benzene IUPAC Name: 2,4-dinitro-1-[2-(4-propan-2-ylphenyl)cyclohex-2-en-1-yl]sulfanylbenzene Traditional Name: 2,4-dinitro-1-[(2-p-cumenylcyclohex-2-en-1-yl)thio]benzene Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CCCCC2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CCCCC2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4S/c1-14(2)15-7-9-16(10-8-15)18-5-3-4-6-20(18)28-21-12-11-17(22(24)25)13-19(21)23(26)27/h5,7-14,20H,3-4,6H2,1-2H3