4-(4-methylphenyl)-4-nitro-1-(3,4,5-trimethoxyphenyl)hexan-1-one

Systemtic Name: 4-(4-methylphenyl)-4-nitro-1-(3,4,5-trimethoxyphenyl)hexan-1-one Openeye Name: 4-nitro-4-(p-tolyl)-1-(3,4,5-trimethoxyphenyl)hexan-1-one CAS Name: 4-(4-methylphenyl)-4-nitro-1-(3,4,5-trimethoxyphenyl)-1-hexanone IUPAC Name: 4-(4-methylphenyl)-4-nitro-1-(3,4,5-trimethoxyphenyl)hexan-1-one Traditional Name: 4-nitro-4-(p-tolyl)-1-(3,4,5-trimethoxyphenyl)hexan-1-one Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CCC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO6/c1-6-22(23(25)26,17-9-7-15(2)8-10-17)12-11-18(24)16-13-19(27-3)21(29-5)20(14-16)28-4/h7-10,13-14H,6,11-12H2,1-5H3