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

Systemtic Name: 4-[2-[4-(methoxymethyl)-4-methyl-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(methoxymethyl)-4-methyl-chroman-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(methoxymethyl)-4-methyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(methoxymethyl)-4-methyl-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(methoxymethyl)-4-methyl-chroman-6-yl]ethynyl]benzoic acid Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)COC

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)COC

InChI

InChI=1S/C21H20O4/c1-21(14-24-2)11-12-25-19-10-7-16(13-18(19)21)4-3-15-5-8-17(9-6-15)20(22)23/h5-10,13H,11-12,14H2,1-2H3,(H,22,23)