2-hex-2-ynylnaphthalene-1,5-dicarboxylic acid

Systemtic Name: 2-hex-2-ynylnaphthalene-1,5-dicarboxylic acid Openeye Name: 2-hex-2-ynylnaphthalene-1,5-dicarboxylic acid CAS Name: 2-hex-2-ynylnaphthalene-1,5-dicarboxylic acid IUPAC Name: 2-hex-2-ynylnaphthalene-1,5-dicarboxylic acid Traditional Name: 2-hex-2-ynylnaphthalene-1,5-dicarboxylic acid Formula: C18H16O4 MolecularWeight: 296.31724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC1=C(C2=C(C=C1)C(=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC#CCC1=C(C2=C(C=C1)C(=CC=C2)C(=O)O)C(=O)O

InChI

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