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

Systemtic Name: docosyl 3-(4-hydroxyphenyl)prop-2-ynoate Openeye Name: docosyl 3-(4-hydroxyphenyl)prop-2-ynoate CAS Name: 3-(4-hydroxyphenyl)-2-propynoic acid docosyl ester IUPAC Name: docosyl 3-(4-hydroxyphenyl)prop-2-ynoate Traditional Name: 3-(4-hydroxyphenyl)propiolic acid behenyl ester Formula: C31H50O3 MolecularWeight: 470.7269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-34-31(33)27-24-29-22-25-30(32)26-23-29/h22-23,25-26,32H,2-21,28H2,1H3