2-hex-5-ynylbenzene-1,3-dicarboxylic acid

Systemtic Name: 2-hex-5-ynylbenzene-1,3-dicarboxylic acid Openeye Name: 2-hex-5-ynylbenzene-1,3-dicarboxylic acid CAS Name: 2-hex-5-ynylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-hex-5-ynylbenzene-1,3-dicarboxylic acid Traditional Name: 2-hex-5-ynylisophthalic acid Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCC1=C(C=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

C#CCCCCC1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C14H14O4/c1-2-3-4-5-7-10-11(13(15)16)8-6-9-12(10)14(17)18/h1,6,8-9H,3-5,7H2,(H,15,16)(H,17,18)