3-(4-cyanophenyl)-2-(4-octoxyphenyl)carbonyloxy-benzoate

Systemtic Name: 3-(4-cyanophenyl)-2-(4-octoxyphenyl)carbonyloxy-benzoate Openeye Name: 3-(4-cyanophenyl)-2-(4-octoxybenzoyl)oxy-benzoate CAS Name: 3-(4-cyanophenyl)-2-[(4-octoxyphenyl)-oxomethoxy]benzoate IUPAC Name: 3-(4-cyanophenyl)-2-(4-octoxybenzoyl)oxybenzoate Traditional Name: 3-(4-cyanophenyl)-2-(4-octoxybenzoyl)oxy-benzoate Formula: C29H28NO5- MolecularWeight: 470.53632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2C(=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2C(=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H29NO5/c1-2-3-4-5-6-7-19-34-24-17-15-23(16-18-24)29(33)35-27-25(9-8-10-26(27)28(31)32)22-13-11-21(20-30)12-14-22/h8-18H,2-7,19H2,1H3,(H,31,32)/p-1