1-[2-(4-tert-butylphenyl)cyclohex-2-en-1-yl]sulfanyl-2,4-dinitro-benzene

Systemtic Name: 1-[2-(4-tert-butylphenyl)cyclohex-2-en-1-yl]sulfanyl-2,4-dinitro-benzene Openeye Name: 1-[2-(4-tert-butylphenyl)cyclohex-2-en-1-yl]sulfanyl-2,4-dinitro-benzene CAS Name: 1-[[2-(4-tert-butylphenyl)-1-cyclohex-2-enyl]thio]-2,4-dinitrobenzene IUPAC Name: 1-[2-(4-tert-butylphenyl)cyclohex-2-en-1-yl]sulfanyl-2,4-dinitrobenzene Traditional Name: 1-[[2-(4-tert-butylphenyl)cyclohex-2-en-1-yl]thio]-2,4-dinitro-benzene Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)16-10-8-15(9-11-16)18-6-4-5-7-20(18)29-21-13-12-17(23(25)26)14-19(21)24(27)28/h6,8-14,20H,4-5,7H2,1-3H3