[4-[1,2-bis[(4-nitrophenyl)carbonyloxy]ethyl]-4,8-dimethyl-non-7-en-2-ynyl] 4-nitrobenzoate

Systemtic Name: [4-[1,2-bis[(4-nitrophenyl)carbonyloxy]ethyl]-4,8-dimethyl-non-7-en-2-ynyl] 4-nitrobenzoate Openeye Name: [4-[1,2-bis[(4-nitrobenzoyl)oxy]ethyl]-4,8-dimethyl-non-7-en-2-ynyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[1,2-bis[(4-nitrophenyl)-oxomethoxy]ethyl]-4,8-dimethylnon-7-en-2-ynyl] ester IUPAC Name: [4-[1,2-bis[(4-nitrobenzoyl)oxy]ethyl]-4,8-dimethylnon-7-en-2-ynyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[1,2-bis[(4-nitrobenzoyl)oxy]ethyl]-4,8-dimethyl-non-7-en-2-ynyl] ester Formula: C34H31N3O12 MolecularWeight: 673.62284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C#CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC(=CCCC(C)(C#CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C34H31N3O12/c1-23(2)6-4-19-34(3,20-5-21-47-31(38)24-7-13-27(14-8-24)35(41)42)30(49-33(40)26-11-17-29(18-12-26)37(45)46)22-48-32(39)25-9-15-28(16-10-25)36(43)44/h6-18,30H,4,19,21-22H2,1-3H3