4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(1,1,3,3-tetramethylindan-5-yl)ethynyl]benzoic acid CAS Name: 4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(1,1,3,3-tetramethylindan-5-yl)ethynyl]benzoic acid Formula: C22H22O2 MolecularWeight: 318.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C22H22O2/c1-21(2)14-22(3,4)19-13-16(9-12-18(19)21)6-5-15-7-10-17(11-8-15)20(23)24/h7-13H,14H2,1-4H3,(H,23,24)