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

Systemtic Name: 3-oxidanylidenehept-4-yn-2-yl 4-[2-(4-hexoxyphenyl)ethyl]benzoate Openeye Name: (1-methyl-2-oxo-hex-3-ynyl) 4-[2-(4-hexoxyphenyl)ethyl]benzoate CAS Name: 4-[2-(4-hexoxyphenyl)ethyl]benzoic acid 3-oxohept-4-yn-2-yl ester IUPAC Name: 3-oxohept-4-yn-2-yl 4-[2-(4-hexoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(4-hexoxyphenyl)ethyl]benzoic acid (2-keto-1-methyl-hex-3-ynyl) ester Formula: C28H34O4 MolecularWeight: 434.56716

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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#CCC

Isomeric SMILES

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

InChI

InChI=1S/C28H34O4/c1-4-6-8-9-21-31-26-19-15-24(16-20-26)12-11-23-13-17-25(18-14-23)28(30)32-22(3)27(29)10-7-5-2/h13-20,22H,4-6,8-9,11-12,21H2,1-3H3