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

Systemtic Name: 3-oxidanylidenehept-4-yn-2-yl 4-[2-(4-octoxyphenyl)ethyl]benzoate Openeye Name: (1-methyl-2-oxo-hex-3-ynyl) 4-[2-(4-octoxyphenyl)ethyl]benzoate CAS Name: 4-[2-(4-octoxyphenyl)ethyl]benzoic acid 3-oxohept-4-yn-2-yl ester IUPAC Name: 3-oxohept-4-yn-2-yl 4-[2-(4-octoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(4-octoxyphenyl)ethyl]benzoic acid (2-keto-1-methyl-hex-3-ynyl) ester Formula: C30H38O4 MolecularWeight: 462.62032

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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#CCC

Isomeric SMILES

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

InChI

InChI=1S/C30H38O4/c1-4-6-8-9-10-11-23-33-28-21-17-26(18-22-28)14-13-25-15-19-27(20-16-25)30(32)34-24(3)29(31)12-7-5-2/h15-22,24H,4-6,8-11,13-14,23H2,1-3H3