3-hex-3-ynylphthalic acid

Systemtic Name: 3-hex-3-ynylphthalic acid Openeye Name: 3-hex-3-ynylphthalic acid CAS Name: 3-hex-3-ynylphthalic acid IUPAC Name: 3-hex-3-ynylphthalic acid Traditional Name: 3-hex-3-ynylphthalic acid Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCC1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCC#CCCC1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C14H14O4/c1-2-3-4-5-7-10-8-6-9-11(13(15)16)12(10)14(17)18/h6,8-9H,2,5,7H2,1H3,(H,15,16)(H,17,18)