5-(3-carboxy-4-ethynyl-phenyl)-2-ethynyl-benzoic acid

Systemtic Name: 5-(3-carboxy-4-ethynyl-phenyl)-2-ethynyl-benzoic acid Openeye Name: 5-(3-carboxy-4-ethynyl-phenyl)-2-ethynyl-benzoic acid CAS Name: 5-(3-carboxy-4-ethynylphenyl)-2-ethynylbenzoic acid IUPAC Name: 5-(3-carboxy-4-ethynylphenyl)-2-ethynylbenzoic acid Traditional Name: 5-(3-carboxy-4-ethynyl-phenyl)-2-ethynyl-benzoic acid Formula: C18H10O4 MolecularWeight: 290.2696

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C#C)C(=O)O)C(=O)O

Isomeric SMILES

C#CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C#C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H10O4/c1-3-11-5-7-13(9-15(11)17(19)20)14-8-6-12(4-2)16(10-14)18(21)22/h1-2,5-10H,(H,19,20)(H,21,22)