4-[2-(3-methoxy-4-methyl-phenyl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(3-methoxy-4-methyl-phenyl)ethynyl]benzoic acid Openeye Name: 4-[2-(3-methoxy-4-methyl-phenyl)ethynyl]benzoic acid CAS Name: 4-[2-(3-methoxy-4-methylphenyl)ethynyl]benzoic acid IUPAC Name: 4-[2-(3-methoxy-4-methylphenyl)ethynyl]benzoic acid Traditional Name: 4-[2-(3-methoxy-4-methyl-phenyl)ethynyl]benzoic acid Formula: C17H14O3 MolecularWeight: 266.29126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C17H14O3/c1-12-3-4-14(11-16(12)20-2)6-5-13-7-9-15(10-8-13)17(18)19/h3-4,7-11H,1-2H3,(H,18,19)