2-[2-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-1-(4-methoxyphenyl)ethyl]benzoic acid

Systemtic Name: 2-[2-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-1-(4-methoxyphenyl)ethyl]benzoic acid Openeye Name: 2-[2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-1-(4-methoxyphenyl)ethyl]benzoic acid CAS Name: 2-[2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-1-(4-methoxyphenyl)ethyl]benzoic acid IUPAC Name: 2-[2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-1-(4-methoxyphenyl)ethyl]benzoic acid Traditional Name: 2-[2-(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)-1-(4-methoxyphenyl)ethyl]benzoic acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=CC(=O)O1)CC(C2=CC=C(C=C2)OC)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1(OC(=CC(=O)O1)CC(C2=CC=C(C=C2)OC)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C22H22O6/c1-22(2)27-16(13-20(23)28-22)12-19(14-8-10-15(26-3)11-9-14)17-6-4-5-7-18(17)21(24)25/h4-11,13,19H,12H2,1-3H3,(H,24,25)