3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoic acid Openeye Name: 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoic acid CAS Name: 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(heptadec-2-ynoxymethyl)phenyl]propanoic acid Traditional Name: 3-[4-(heptadec-2-ynoxymethyl)phenyl]propionic acid Formula: C27H42O3 MolecularWeight: 414.62058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-24-26-19-17-25(18-20-26)21-22-27(28)29/h17-20H,2-14,21-24H2,1H3,(H,28,29)