[4-(4-decoxyphenyl)phenyl] 2,4-dimethyl-5-nitro-benzoate

Systemtic Name: [4-(4-decoxyphenyl)phenyl] 2,4-dimethyl-5-nitro-benzoate Openeye Name: [4-(4-decoxyphenyl)phenyl] 2,4-dimethyl-5-nitro-benzoate CAS Name: 2,4-dimethyl-5-nitrobenzoic acid [4-(4-decoxyphenyl)phenyl] ester IUPAC Name: [4-(4-decoxyphenyl)phenyl] 2,4-dimethyl-5-nitrobenzoate Traditional Name: 2,4-dimethyl-5-nitro-benzoic acid [4-(4-decoxyphenyl)phenyl] ester Formula: C31H37NO5 MolecularWeight: 503.62918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C31H37NO5/c1-4-5-6-7-8-9-10-11-20-36-27-16-12-25(13-17-27)26-14-18-28(19-15-26)37-31(33)29-22-30(32(34)35)24(3)21-23(29)2/h12-19,21-22H,4-11,20H2,1-3H3