[3-(3,5-dinitrophenyl)carbonyloxy-2-(3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl)-5-pentyl-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-(3,5-dinitrophenyl)carbonyloxy-2-(3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl)-5-pentyl-phenyl] 3,5-dinitrobenzoate Openeye Name: [3-(3,5-dinitrobenzoyl)oxy-2-(6-isopropenyl-3-methyl-cyclohex-2-en-1-yl)-5-pentyl-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(3,5-dinitrophenyl)-oxomethoxy]-2-[3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylphenyl] ester IUPAC Name: [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-amyl-3-(3,5-dinitrobenzoyl)oxy-2-(6-isopropenyl-3-methyl-cyclohex-2-en-1-yl)phenyl] ester Formula: C35H34N4O12 MolecularWeight: 702.66406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3C=C(CCC3C(=C)C)C)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3C=C(CCC3C(=C)C)C)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C35H34N4O12/c1-5-6-7-8-22-12-31(50-34(40)23-14-25(36(42)43)18-26(15-23)37(44)45)33(30-11-21(4)9-10-29(30)20(2)3)32(13-22)51-35(41)24-16-27(38(46)47)19-28(17-24)39(48)49/h11-19,29-30H,2,5-10H2,1,3-4H3