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

Systemtic Name: 4-[4-[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]-2-oxidanyl-butoxy]benzoic acid Openeye Name: 4-[2-hydroxy-4-[4-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)phenyl]butoxy]benzoic acid CAS Name: 4-[2-hydroxy-4-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)phenyl]butoxy]benzoic acid IUPAC Name: 4-[2-hydroxy-4-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)phenyl]butoxy]benzoic acid Traditional Name: 4-[2-hydroxy-4-[4-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)phenyl]butoxy]benzoic acid Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O)C(=O)O

InChI

InChI=1S/C21H24O6/c1-21(2,20(25)26)16-8-3-14(4-9-16)5-10-17(22)13-27-18-11-6-15(7-12-18)19(23)24/h3-4,6-9,11-12,17,22H,5,10,13H2,1-2H3,(H,23,24)(H,25,26)