2,2-dimethyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid Openeye Name: 2,2-dimethyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid CAS Name: 2,2-dimethyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid IUPAC Name: 2,2-dimethyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propanoic acid Traditional Name: 2,2-dimethyl-3-[4-(tridec-2-ynoxymethyl)phenyl]propionic acid Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCOCC1=CC=C(C=C1)CC(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC#CCOCC1=CC=C(C=C1)CC(C)(C)C(=O)O

InChI

InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-28-21-23-17-15-22(16-18-23)20-25(2,3)24(26)27/h15-18H,4-12,19-21H2,1-3H3,(H,26,27)