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

Systemtic Name: 3-oxidanylideneoct-4-yn-2-yl 4-[2-(4-hexoxyphenyl)ethyl]benzoate Openeye Name: (1-methyl-2-oxo-hept-3-ynyl) 4-[2-(4-hexoxyphenyl)ethyl]benzoate CAS Name: 4-[2-(4-hexoxyphenyl)ethyl]benzoic acid 3-oxooct-4-yn-2-yl ester IUPAC Name: 3-oxooct-4-yn-2-yl 4-[2-(4-hexoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(4-hexoxyphenyl)ethyl]benzoic acid (2-keto-1-methyl-hept-3-ynyl) ester Formula: C29H36O4 MolecularWeight: 448.59374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)OC(C)C(=O)C#CCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)OC(C)C(=O)C#CCCC

InChI

InChI=1S/C29H36O4/c1-4-6-8-10-22-32-27-20-16-25(17-21-27)13-12-24-14-18-26(19-15-24)29(31)33-23(3)28(30)11-9-7-5-2/h14-21,23H,4-8,10,12-13,22H2,1-3H3