4-[2-(5-acetyloxy-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5-acetyloxy-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(5-acetoxy-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(5-acetyloxy-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(5-acetyloxy-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(5-acetoxy-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C23H20O4 MolecularWeight: 360.4025

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(=O)OC1=CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C23H20O4/c1-15(24)27-21-12-13-23(2,3)20-14-17(8-11-19(20)21)5-4-16-6-9-18(10-7-16)22(25)26/h6-12,14H,13H2,1-3H3,(H,25,26)