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

Systemtic Name: (4-cyanophenyl)methyl 5-[4-(4-octoxyphenyl)carbonyloxyphenyl]carbonyloxy-2-oxidanyl-benzoate Openeye Name: (4-cyanophenyl)methyl 2-hydroxy-5-[4-(4-octoxybenzoyl)oxybenzoyl]oxy-benzoate CAS Name: 2-hydroxy-5-[[4-[(4-octoxyphenyl)-oxomethoxy]phenyl]-oxomethoxy]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-hydroxy-5-[4-(4-octoxybenzoyl)oxybenzoyl]oxybenzoate Traditional Name: 2-hydroxy-5-[4-(4-octoxybenzoyl)oxybenzoyl]oxy-benzoic acid (4-cyanobenzyl) ester Formula: C37H35NO8 MolecularWeight: 621.6757

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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)C#N

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)C#N

InChI

InChI=1S/C37H35NO8/c1-2-3-4-5-6-7-22-43-30-16-12-28(13-17-30)35(40)45-31-18-14-29(15-19-31)36(41)46-32-20-21-34(39)33(23-32)37(42)44-25-27-10-8-26(24-38)9-11-27/h8-21,23,39H,2-7,22,25H2,1H3