2-methylbutyl 2-[4-(3-nitro-4-tetradecoxy-phenyl)phenyl]carbonyloxybenzoate

Systemtic Name: 2-methylbutyl 2-[4-(3-nitro-4-tetradecoxy-phenyl)phenyl]carbonyloxybenzoate Openeye Name: 2-methylbutyl 2-[4-(3-nitro-4-tetradecoxy-phenyl)benzoyl]oxybenzoate CAS Name: 2-[[4-(3-nitro-4-tetradecoxyphenyl)phenyl]-oxomethoxy]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[4-(3-nitro-4-tetradecoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-[4-(4-myristyloxy-3-nitro-phenyl)benzoyl]oxybenzoic acid 2-methylbutyl ester Formula: C39H51NO7 MolecularWeight: 645.82474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OCC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OCC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C39H51NO7/c1-4-6-7-8-9-10-11-12-13-14-15-18-27-45-37-26-25-33(28-35(37)40(43)44)31-21-23-32(24-22-31)38(41)47-36-20-17-16-19-34(36)39(42)46-29-30(3)5-2/h16-17,19-26,28,30H,4-15,18,27,29H2,1-3H3