(4-cyanophenyl)methyl 5-(4-hexadecoxyphenyl)carbonyloxy-2-oxidanyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 5-(4-hexadecoxyphenyl)carbonyloxy-2-oxidanyl-benzoate Openeye Name: (4-cyanophenyl)methyl 5-(4-hexadecoxybenzoyl)oxy-2-hydroxy-benzoate CAS Name: 5-[(4-hexadecoxyphenyl)-oxomethoxy]-2-hydroxybenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-(4-hexadecoxybenzoyl)oxy-2-hydroxybenzoate Traditional Name: 5-(4-cetyloxybenzoyl)oxy-2-hydroxy-benzoic acid (4-cyanobenzyl) ester Formula: C38H47NO6 MolecularWeight: 613.78288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C38H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26-43-33-22-20-32(21-23-33)37(41)45-34-24-25-36(40)35(27-34)38(42)44-29-31-18-16-30(28-39)17-19-31/h16-25,27,40H,2-15,26,29H2,1H3