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

Systemtic Name: octadecyl 3-(4-hydroxyphenyl)prop-2-ynoate Openeye Name: octadecyl 3-(4-hydroxyphenyl)prop-2-ynoate CAS Name: 3-(4-hydroxyphenyl)-2-propynoic acid octadecyl ester IUPAC Name: octadecyl 3-(4-hydroxyphenyl)prop-2-ynoate Traditional Name: 3-(4-hydroxyphenyl)propiolic acid stearyl ester Formula: C27H42O3 MolecularWeight: 414.62058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-19,21-22,28H,2-17,24H2,1H3