3-[4-(3-carboxyphenyl)buta-1,3-diynyl]benzoic acid

Systemtic Name: 3-[4-(3-carboxyphenyl)buta-1,3-diynyl]benzoic acid Openeye Name: 3-[4-(3-carboxyphenyl)buta-1,3-diynyl]benzoic acid CAS Name: 3-[4-(3-carboxyphenyl)buta-1,3-diynyl]benzoic acid IUPAC Name: 3-[4-(3-carboxyphenyl)buta-1,3-diynyl]benzoic acid Traditional Name: 3-[4-(3-carboxyphenyl)buta-1,3-diynyl]benzoic acid Formula: C18H10O4 MolecularWeight: 290.2696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10O4/c19-17(20)15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(12-14)18(21)22/h3-4,7-12H,(H,19,20)(H,21,22)