(2,6-ditert-butyl-4-methyl-phenyl) 3-[methoxy-bis(4-nitrophenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-phenyl) 3-[methoxy-bis(4-nitrophenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-phenyl) 3-[methoxy-bis(4-nitrophenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-[methoxy-bis(4-nitrophenyl)methyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methylphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylphenyl) 3-[methoxy-bis(4-nitrophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-[methoxy-bis(4-nitrophenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methyl-phenyl) ester Formula: C35H42N2O7 MolecularWeight: 602.71718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C2C(C2(C)C)C(C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)[N+](=O)[O-])OC)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C2C(C2(C)C)C(C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)[N+](=O)[O-])OC)C(C)(C)C

InChI

InChI=1S/C35H42N2O7/c1-21-19-26(32(2,3)4)29(27(20-21)33(5,6)7)44-31(38)28-30(34(28,8)9)35(43-10,22-11-15-24(16-12-22)36(39)40)23-13-17-25(18-14-23)37(41)42/h11-20,28,30H,1-10H3