6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl ethanoate

Systemtic Name: 6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl ethanoate Openeye Name: [5-[4-(4-decoxyphenyl)phenyl]-1-methyl-pent-4-ynyl] acetate CAS Name: acetic acid 6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl ester IUPAC Name: 6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl acetate Traditional Name: acetic acid [5-[4-(4-decoxyphenyl)phenyl]-1-methyl-pent-4-ynyl] ester Formula: C30H40O3 MolecularWeight: 448.6368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC(C)OC(=O)C

InChI

InChI=1S/C30H40O3/c1-4-5-6-7-8-9-10-13-24-32-30-22-20-29(21-23-30)28-18-16-27(17-19-28)15-12-11-14-25(2)33-26(3)31/h16-23,25H,4-11,13-14,24H2,1-3H3