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

Systemtic Name: 7-hex-1-ynylnaphthalene-1,6-dicarboxylic acid Openeye Name: 7-hex-1-ynylnaphthalene-1,6-dicarboxylic acid CAS Name: 7-hex-1-ynylnaphthalene-1,6-dicarboxylic acid IUPAC Name: 7-hex-1-ynylnaphthalene-1,6-dicarboxylic acid Traditional Name: 7-hex-1-ynylnaphthalene-1,6-dicarboxylic acid Formula: C18H16O4 MolecularWeight: 296.31724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC2=C(C=CC=C2C(=O)O)C=C1C(=O)O

Isomeric SMILES

CCCCC#CC1=CC2=C(C=CC=C2C(=O)O)C=C1C(=O)O

InChI

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