[2-but-2-ynyl-7,7-dimethyl-2-[(4-nitrophenyl)carbonyloxymethyl]octa-4,5-dienyl] 4-nitrobenzoate

Systemtic Name: [2-but-2-ynyl-7,7-dimethyl-2-[(4-nitrophenyl)carbonyloxymethyl]octa-4,5-dienyl] 4-nitrobenzoate Openeye Name: [2-but-2-ynyl-7,7-dimethyl-2-[(4-nitrobenzoyl)oxymethyl]octa-4,5-dienyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-but-2-ynyl-7,7-dimethyl-2-[[(4-nitrophenyl)-oxomethoxy]methyl]octa-4,5-dienyl] ester IUPAC Name: [2-but-2-ynyl-7,7-dimethyl-2-[(4-nitrobenzoyl)oxymethyl]octa-4,5-dienyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-but-2-ynyl-7,7-dimethyl-2-[(4-nitrobenzoyl)oxymethyl]octa-4,5-dienyl] ester Formula: C29H30N2O8 MolecularWeight: 534.5571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O8/c1-5-6-18-29(19-8-7-17-28(2,3)4,20-38-26(32)22-9-13-24(14-10-22)30(34)35)21-39-27(33)23-11-15-25(16-12-23)31(36)37/h8-17H,18-21H2,1-4H3