5-(2-phenylethynyl)-2-propan-2-yloxy-benzoic acid

Systemtic Name: 5-(2-phenylethynyl)-2-propan-2-yloxy-benzoic acid Openeye Name: 2-isopropoxy-5-(2-phenylethynyl)benzoic acid CAS Name: 5-(2-phenylethynyl)-2-propan-2-yloxybenzoic acid IUPAC Name: 5-(2-phenylethynyl)-2-propan-2-yloxybenzoic acid Traditional Name: 2-isopropoxy-5-(2-phenylethynyl)benzoic acid Formula: C18H16O3 MolecularWeight: 280.31784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C#CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C#CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H16O3/c1-13(2)21-17-11-10-15(12-16(17)18(19)20)9-8-14-6-4-3-5-7-14/h3-7,10-13H,1-2H3,(H,19,20)