1-[2-(4,4-diphenylcyclohexen-1-yl)ethynyl]-2,4-dinitro-benzene

Systemtic Name: 1-[2-(4,4-diphenylcyclohexen-1-yl)ethynyl]-2,4-dinitro-benzene Openeye Name: 1-[2-(4,4-diphenylcyclohexen-1-yl)ethynyl]-2,4-dinitro-benzene CAS Name: 1-[2-(4,4-diphenyl-1-cyclohexenyl)ethynyl]-2,4-dinitrobenzene IUPAC Name: 1-[2-(4,4-diphenylcyclohexen-1-yl)ethynyl]-2,4-dinitrobenzene Traditional Name: 1-[2-(4,4-diphenylcyclohexen-1-yl)ethynyl]-2,4-dinitro-benzene Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1C#CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(CC=C1C#CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H20N2O4/c29-27(30)24-14-13-21(25(19-24)28(31)32)12-11-20-15-17-26(18-16-20,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,13-15,19H,16-18H2