5-(4-phenylbuta-1,3-diynyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(4-phenylbuta-1,3-diynyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(4-phenylbuta-1,3-diynyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(4-phenylbuta-1,3-diynyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(4-phenylbuta-1,3-diynyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(4-phenylbuta-1,3-diynyl)isophthalic acid Formula: C18H10O4 MolecularWeight: 290.2696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC#CC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC#CC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H10O4/c19-17(20)15-10-14(11-16(12-15)18(21)22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,(H,19,20)(H,21,22)