4-[2-[4-(acetyloxymethyl)-4-methyl-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-(acetyloxymethyl)-4-methyl-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(acetoxymethyl)-4-methyl-chroman-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(acetyloxymethyl)-4-methyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(acetyloxymethyl)-4-methyl-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(acetoxymethyl)-4-methyl-chroman-6-yl]ethynyl]benzoic acid Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC(=O)OCC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C22H20O5/c1-15(23)27-14-22(2)11-12-26-20-10-7-17(13-19(20)22)4-3-16-5-8-18(9-6-16)21(24)25/h5-10,13H,11-12,14H2,1-2H3,(H,24,25)