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

Systemtic Name: (4-nitrophenyl)methyl 5-(4-octoxyphenyl)carbonyloxy-2-oxidanyl-benzoate Openeye Name: (4-nitrophenyl)methyl 2-hydroxy-5-(4-octoxybenzoyl)oxy-benzoate CAS Name: 2-hydroxy-5-[(4-octoxyphenyl)-oxomethoxy]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-hydroxy-5-(4-octoxybenzoyl)oxybenzoate Traditional Name: 2-hydroxy-5-(4-octoxybenzoyl)oxy-benzoic acid (4-nitrobenzyl) ester Formula: C29H31NO8 MolecularWeight: 521.55834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C29H31NO8/c1-2-3-4-5-6-7-18-36-24-14-10-22(11-15-24)28(32)38-25-16-17-27(31)26(19-25)29(33)37-20-21-8-12-23(13-9-21)30(34)35/h8-17,19,31H,2-7,18,20H2,1H3