8-hex-1-ynylnaphthalene-1,6-dicarboxylic acid

Systemtic Name: 8-hex-1-ynylnaphthalene-1,6-dicarboxylic acid Openeye Name: 8-hex-1-ynylnaphthalene-1,6-dicarboxylic acid CAS Name: 8-hex-1-ynylnaphthalene-1,6-dicarboxylic acid IUPAC Name: 8-hex-1-ynylnaphthalene-1,6-dicarboxylic acid Traditional Name: 8-hex-1-ynylnaphthalene-1,6-dicarboxylic acid Formula: C18H16O4 MolecularWeight: 296.31724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CC2=C1C(=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC#CC1=CC(=CC2=C1C(=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16O4/c1-2-3-4-5-7-12-10-14(17(19)20)11-13-8-6-9-15(16(12)13)18(21)22/h6,8-11H,2-4H2,1H3,(H,19,20)(H,21,22)