3-[[1-(2,2-dimethylpropyl)-9H-xanthen-9-yl]oxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[1-(2,2-dimethylpropyl)-9H-xanthen-9-yl]oxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[1-(2,2-dimethylpropyl)-9H-xanthen-9-yl]oxy]-3-oxo-propanoic acid CAS Name: 3-[[1-(2,2-dimethylpropyl)-9H-xanthen-9-yl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[[1-(2,2-dimethylpropyl)-9H-xanthen-9-yl]oxy]-3-oxopropanoic acid Traditional Name: 3-keto-3-[(1-neopentyl-9H-xanthen-9-yl)oxy]propionic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C2C(C3=CC=CC=C3OC2=CC=C1)OC(=O)CC(=O)O

Isomeric SMILES

CC(C)(C)CC1=C2C(C3=CC=CC=C3OC2=CC=C1)OC(=O)CC(=O)O

InChI

InChI=1S/C21H22O5/c1-21(2,3)12-13-7-6-10-16-19(13)20(26-18(24)11-17(22)23)14-8-4-5-9-15(14)25-16/h4-10,20H,11-12H2,1-3H3,(H,22,23)