tert-butyl 8-nitro-3,7-diphenyl-octanoate

Systemtic Name: tert-butyl 8-nitro-3,7-diphenyl-octanoate Openeye Name: tert-butyl 8-nitro-3,7-diphenyl-octanoate CAS Name: 8-nitro-3,7-diphenyloctanoic acid tert-butyl ester IUPAC Name: tert-butyl 8-nitro-3,7-diphenyloctanoate Traditional Name: 8-nitro-3,7-diphenyl-caprylic acid tert-butyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC(C[N+](=O)[O-])C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC(C[N+](=O)[O-])C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C24H31NO4/c1-24(2,3)29-23(26)17-21(19-11-6-4-7-12-19)15-10-16-22(18-25(27)28)20-13-8-5-9-14-20/h4-9,11-14,21-22H,10,15-18H2,1-3H3