3-oxidanylidenenon-4-yn-2-yl 4-[2-(4-octoxyphenyl)ethyl]benzoate

Systemtic Name: 3-oxidanylidenenon-4-yn-2-yl 4-[2-(4-octoxyphenyl)ethyl]benzoate Openeye Name: (1-methyl-2-oxo-oct-3-ynyl) 4-[2-(4-octoxyphenyl)ethyl]benzoate CAS Name: 4-[2-(4-octoxyphenyl)ethyl]benzoic acid 3-oxonon-4-yn-2-yl ester IUPAC Name: 3-oxonon-4-yn-2-yl 4-[2-(4-octoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(4-octoxyphenyl)ethyl]benzoic acid (2-keto-1-methyl-oct-3-ynyl) ester Formula: C32H42O4 MolecularWeight: 490.67348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)OC(C)C(=O)C#CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)OC(C)C(=O)C#CCCCC

InChI

InChI=1S/C32H42O4/c1-4-6-8-10-11-13-25-35-30-23-19-28(20-24-30)16-15-27-17-21-29(22-18-27)32(34)36-26(3)31(33)14-12-9-7-5-2/h17-24,26H,4-11,13,15-16,25H2,1-3H3