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

Systemtic Name: 3-[(4-cyanophenyl)methoxycarbonyl]-4-(4-octoxyphenyl)carbonyloxy-benzoic acid Openeye Name: 3-[(4-cyanophenyl)methoxycarbonyl]-4-(4-octoxybenzoyl)oxy-benzoic acid CAS Name: 3-[(4-cyanophenyl)methoxy-oxomethyl]-4-[(4-octoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 3-[(4-cyanophenyl)methoxycarbonyl]-4-(4-octoxybenzoyl)oxybenzoic acid Traditional Name: 3-(4-cyanobenzyl)oxycarbonyl-4-(4-octoxybenzoyl)oxy-benzoic acid Formula: C31H31NO7 MolecularWeight: 529.58034

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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)C#N

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)C#N

InChI

InChI=1S/C31H31NO7/c1-2-3-4-5-6-7-18-37-26-15-12-24(13-16-26)30(35)39-28-17-14-25(29(33)34)19-27(28)31(36)38-21-23-10-8-22(20-32)9-11-23/h8-17,19H,2-7,18,21H2,1H3,(H,33,34)