icosyl 3-(4-hydroxyphenyl)prop-2-ynoate

Systemtic Name: icosyl 3-(4-hydroxyphenyl)prop-2-ynoate Openeye Name: icosyl 3-(4-hydroxyphenyl)prop-2-ynoate CAS Name: 3-(4-hydroxyphenyl)-2-propynoic acid eicosyl ester IUPAC Name: icosyl 3-(4-hydroxyphenyl)prop-2-ynoate Traditional Name: 3-(4-hydroxyphenyl)propiolic acid arachyl ester Formula: C29H46O3 MolecularWeight: 442.67374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C#CC1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C#CC1=CC=C(C=C1)O

InChI

InChI=1S/C29H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-32-29(31)25-22-27-20-23-28(30)24-21-27/h20-21,23-24,30H,2-19,26H2,1H3