tert-butyl 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoate Openeye Name: tert-butyl 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoate CAS Name: 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoate Traditional Name: 3-[4-(heptadec-2-ynoxymethyl)phenyl]propionic acid tert-butyl ester Formula: C31H50O3 MolecularWeight: 470.7269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC#CCOCC1=CC=C(C=C1)CCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCC#CCOCC1=CC=C(C=C1)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C31H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-33-27-29-22-20-28(21-23-29)24-25-30(32)34-31(2,3)4/h20-23H,5-17,24-27H2,1-4H3