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

Systemtic Name: 3-oxidanylidenenon-4-yn-2-yl 4-[2-(4-hexoxyphenyl)ethyl]benzoate Openeye Name: (1-methyl-2-oxo-oct-3-ynyl) 4-[2-(4-hexoxyphenyl)ethyl]benzoate CAS Name: 4-[2-(4-hexoxyphenyl)ethyl]benzoic acid 3-oxonon-4-yn-2-yl ester IUPAC Name: 3-oxonon-4-yn-2-yl 4-[2-(4-hexoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(4-hexoxyphenyl)ethyl]benzoic acid (2-keto-1-methyl-oct-3-ynyl) ester Formula: C30H38O4 MolecularWeight: 462.62032

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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#CCCCC

Isomeric SMILES

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

InChI

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