(2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate

Systemtic Name: (2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate Openeye Name: (2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate CAS Name: 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoate Traditional Name: 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butyric acid (2,4-dinitrophenyl) ester Formula: C31H28N2O9 MolecularWeight: 572.56202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCC(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCC(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C31H28N2O9/c1-39-26-15-10-23(11-16-26)31(22-7-4-3-5-8-22,24-12-17-27(40-2)18-13-24)41-20-6-9-30(34)42-29-19-14-25(32(35)36)21-28(29)33(37)38/h3-5,7-8,10-19,21H,6,9,20H2,1-2H3