(3-cyanophenyl)methyl 5-(4-octoxyphenyl)carbonyloxy-2-oxidanyl-benzoate

Systemtic Name: (3-cyanophenyl)methyl 5-(4-octoxyphenyl)carbonyloxy-2-oxidanyl-benzoate Openeye Name: (3-cyanophenyl)methyl 2-hydroxy-5-(4-octoxybenzoyl)oxy-benzoate CAS Name: 2-hydroxy-5-[(4-octoxyphenyl)-oxomethoxy]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-hydroxy-5-(4-octoxybenzoyl)oxybenzoate Traditional Name: 2-hydroxy-5-(4-octoxybenzoyl)oxy-benzoic acid (3-cyanobenzyl) ester Formula: C30H31NO6 MolecularWeight: 501.57024

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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=CC(=C3)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C30H31NO6/c1-2-3-4-5-6-7-17-35-25-13-11-24(12-14-25)29(33)37-26-15-16-28(32)27(19-26)30(34)36-21-23-10-8-9-22(18-23)20-31/h8-16,18-19,32H,2-7,17,21H2,1H3