2-[[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)phenoxy]methyl]benzoic acid CAS Name: 2-[[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)phenoxy]methyl]benzoic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O5/c1-18(2,17(21)22)13-7-9-14(10-8-13)23-11-12-5-3-4-6-15(12)16(19)20/h3-10H,11H2,1-2H3,(H,19,20)(H,21,22)