5-hept-1-ynylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-hept-1-ynylbenzene-1,3-dicarboxylic acid Openeye Name: 5-hept-1-ynylbenzene-1,3-dicarboxylic acid CAS Name: 5-hept-1-ynylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-hept-1-ynylbenzene-1,3-dicarboxylic acid Traditional Name: 5-hept-1-ynylisophthalic acid Formula: C15H16O4 MolecularWeight: 260.28514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC#CC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H16O4/c1-2-3-4-5-6-7-11-8-12(14(16)17)10-13(9-11)15(18)19/h8-10H,2-5H2,1H3,(H,16,17)(H,18,19)