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

Systemtic Name: 3-oxidanylideneoct-4-yn-2-yl 4-[2-(4-octoxyphenyl)ethyl]benzoate Openeye Name: (1-methyl-2-oxo-hept-3-ynyl) 4-[2-(4-octoxyphenyl)ethyl]benzoate CAS Name: 4-[2-(4-octoxyphenyl)ethyl]benzoic acid 3-oxooct-4-yn-2-yl ester IUPAC Name: 3-oxooct-4-yn-2-yl 4-[2-(4-octoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(4-octoxyphenyl)ethyl]benzoic acid (2-keto-1-methyl-hept-3-ynyl) ester Formula: C31H40O4 MolecularWeight: 476.6469

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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#CCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H40O4/c1-4-6-8-9-10-12-24-34-29-22-18-27(19-23-29)15-14-26-16-20-28(21-17-26)31(33)35-25(3)30(32)13-11-7-5-2/h16-23,25H,4-10,12,14-15,24H2,1-3H3