4-(3,4-dimethoxyphenyl)-3-ethynyl-benzoic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-benzoic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-benzoic acid CAS Name: 4-(3,4-dimethoxyphenyl)-3-ethynylbenzoic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-ethynylbenzoic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-benzoic acid Formula: C17H14O4 MolecularWeight: 282.29066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C#C)OC

InChI

InChI=1S/C17H14O4/c1-4-11-9-13(17(18)19)5-7-14(11)12-6-8-15(20-2)16(10-12)21-3/h1,5-10H,2-3H3,(H,18,19)