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

Systemtic Name: 4-[2-[4-(hydroxymethyl)-4-methyl-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(hydroxymethyl)-4-methyl-chroman-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(hydroxymethyl)-4-methyl-2,3-dihydrochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-(4-methyl-4-methylol-chroman-6-yl)ethynyl]benzoic acid Formula: C20H18O4 MolecularWeight: 322.35452

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H18O4/c1-20(13-21)10-11-24-18-9-6-15(12-17(18)20)3-2-14-4-7-16(8-5-14)19(22)23/h4-9,12,21H,10-11,13H2,1H3,(H,22,23)