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

Systemtic Name: 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(4,4-dimethylchroman-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(4,4-dimethylchroman-6-yl)ethynyl]benzoic acid Formula: C20H18O3 MolecularWeight: 306.35512

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18O3/c1-20(2)11-12-23-18-10-7-15(13-17(18)20)4-3-14-5-8-16(9-6-14)19(21)22/h5-10,13H,11-12H2,1-2H3,(H,21,22)