4-(4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl)-2-ethynyl-benzoic acid

Systemtic Name: 4-(4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl)-2-ethynyl-benzoic acid Openeye Name: 4-(4,4-dimethyl-2-oxo-chroman-6-yl)-2-ethynyl-benzoic acid CAS Name: 4-(4,4-dimethyl-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-ethynylbenzoic acid IUPAC Name: 4-(4,4-dimethyl-2-oxo-3H-chromen-6-yl)-2-ethynylbenzoic acid Traditional Name: 2-ethynyl-4-(2-keto-4,4-dimethyl-chroman-6-yl)benzoic acid Formula: C20H16O4 MolecularWeight: 320.33864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC2=C1C=C(C=C2)C3=CC(=C(C=C3)C(=O)O)C#C)C

Isomeric SMILES

CC1(CC(=O)OC2=C1C=C(C=C2)C3=CC(=C(C=C3)C(=O)O)C#C)C

InChI

InChI=1S/C20H16O4/c1-4-12-9-13(5-7-15(12)19(22)23)14-6-8-17-16(10-14)20(2,3)11-18(21)24-17/h1,5-10H,11H2,2-3H3,(H,22,23)