5-(2-hex-1-ynylphenoxy)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-hex-1-ynylphenoxy)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-hex-1-ynylphenoxy)benzene-1,3-dicarboxylic acid CAS Name: 5-(2-hex-1-ynylphenoxy)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-hex-1-ynylphenoxy)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-hex-1-ynylphenoxy)isophthalic acid Formula: C20H18O5 MolecularWeight: 338.35392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1OC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC#CC1=CC=CC=C1OC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18O5/c1-2-3-4-5-8-14-9-6-7-10-18(14)25-17-12-15(19(21)22)11-16(13-17)20(23)24/h6-7,9-13H,2-4H2,1H3,(H,21,22)(H,23,24)