3-[(4-nitrophenyl)methoxycarbonyl]-4-(4-octoxyphenyl)carbonyloxy-benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)methoxycarbonyl]-4-(4-octoxyphenyl)carbonyloxy-benzoic acid Openeye Name: 3-[(4-nitrophenyl)methoxycarbonyl]-4-(4-octoxybenzoyl)oxy-benzoic acid CAS Name: 3-[(4-nitrophenyl)methoxy-oxomethyl]-4-[(4-octoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 3-[(4-nitrophenyl)methoxycarbonyl]-4-(4-octoxybenzoyl)oxybenzoic acid Traditional Name: 3-(4-nitrobenzyl)oxycarbonyl-4-(4-octoxybenzoyl)oxy-benzoic acid Formula: C30H31NO9 MolecularWeight: 549.56844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31NO9/c1-2-3-4-5-6-7-18-38-25-15-10-22(11-16-25)29(34)40-27-17-12-23(28(32)33)19-26(27)30(35)39-20-21-8-13-24(14-9-21)31(36)37/h8-17,19H,2-7,18,20H2,1H3,(H,32,33)