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

Systemtic Name: 5-(2-hex-2-ynylphenyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-hex-2-ynylphenyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(2-hex-2-ynylphenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-hex-2-ynylphenyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-hex-2-ynylphenyl)isophthalic acid Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC1=CC=CC=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC#CCC1=CC=CC=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18O4/c1-2-3-4-5-8-14-9-6-7-10-18(14)15-11-16(19(21)22)13-17(12-15)20(23)24/h6-7,9-13H,2-3,8H2,1H3,(H,21,22)(H,23,24)