(4-nitrophenyl)methyl 5-[4-(4-octoxyphenyl)carbonyloxyphenyl]carbonyloxy-2-oxidanyl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 5-[4-(4-octoxyphenyl)carbonyloxyphenyl]carbonyloxy-2-oxidanyl-benzoate Openeye Name: (4-nitrophenyl)methyl 2-hydroxy-5-[4-(4-octoxybenzoyl)oxybenzoyl]oxy-benzoate CAS Name: 2-hydroxy-5-[[4-[(4-octoxyphenyl)-oxomethoxy]phenyl]-oxomethoxy]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-hydroxy-5-[4-(4-octoxybenzoyl)oxybenzoyl]oxybenzoate Traditional Name: 2-hydroxy-5-[4-(4-octoxybenzoyl)oxybenzoyl]oxy-benzoic acid (4-nitrobenzyl) ester Formula: C36H35NO10 MolecularWeight: 641.6638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C36H35NO10/c1-2-3-4-5-6-7-22-44-29-16-10-26(11-17-29)34(39)46-30-18-12-27(13-19-30)35(40)47-31-20-21-33(38)32(23-31)36(41)45-24-25-8-14-28(15-9-25)37(42)43/h8-21,23,38H,2-7,22,24H2,1H3