benzene; 1-ethynylnaphthalene-2,3-dicarboxylic acid

Systemtic Name: benzene; 1-ethynylnaphthalene-2,3-dicarboxylic acid Openeye Name: benzene; 1-ethynylnaphthalene-2,3-dicarboxylic acid CAS Name: benzene; 1-ethynylnaphthalene-2,3-dicarboxylic acid IUPAC Name: benzene; 1-ethynylnaphthalene-2,3-dicarboxylic acid Traditional Name: benzene; 1-ethynylnaphthalene-2,3-dicarboxylic acid Formula: C20H14O4 MolecularWeight: 318.32276

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC2=CC=CC=C21)C(=O)O)C(=O)O.C1=CC=CC=C1

Isomeric SMILES

C#CC1=C(C(=CC2=CC=CC=C21)C(=O)O)C(=O)O.C1=CC=CC=C1

InChI

InChI=1S/C14H8O4.C6H6/c1-2-9-10-6-4-3-5-8(10)7-11(13(15)16)12(9)14(17)18;1-2-4-6-5-3-1/h1,3-7H,(H,15,16)(H,17,18);1-6H