bis[2-butan-2-yl-4,6-dinitro-4,6-bis(2-nitrophenyl)cyclohex-2-en-1-yl] carbonate

Systemtic Name: bis[2-butan-2-yl-4,6-dinitro-4,6-bis(2-nitrophenyl)cyclohex-2-en-1-yl] carbonate Openeye Name: bis[4,6-dinitro-4,6-bis(2-nitrophenyl)-2-sec-butyl-cyclohex-2-en-1-yl] carbonate CAS Name: carbonic acid bis[2-butan-2-yl-4,6-dinitro-4,6-bis(2-nitrophenyl)-1-cyclohex-2-enyl] ester IUPAC Name: bis[2-butan-2-yl-4,6-dinitro-4,6-bis(2-nitrophenyl)cyclohex-2-en-1-yl] carbonate Traditional Name: carbonic acid bis[4,6-dinitro-4,6-bis(2-nitrophenyl)-2-sec-butyl-cyclohex-2-en-1-yl] ester Formula: C45H42N8O19 MolecularWeight: 998.85718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(CC(C1OC(=O)OC2C(=CC(CC2(C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-])(C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-])C(C)CC)(C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-])(C6=CC=CC=C6[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(CC(C1OC(=O)OC2C(=CC(CC2(C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-])(C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-])C(C)CC)(C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-])(C6=CC=CC=C6[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C45H42N8O19/c1-5-27(3)29-23-42(50(63)64,31-15-7-11-19-35(31)46(55)56)25-44(52(67)68,33-17-9-13-21-37(33)48(59)60)39(29)71-41(54)72-40-30(28(4)6-2)24-43(51(65)66,32-16-8-12-20-36(32)47(57)58)26-45(40,53(69)70)34-18-10-14-22-38(34)49(61)62/h7-24,27-28,39-40H,5-6,25-26H2,1-4H3