5-[4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentoxy)-3-(phenylmethyl)phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentoxy)-3-(phenylmethyl)phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[3-benzyl-4-(5-hydroxy-4,4-dimethyl-5-oxo-pentoxy)phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)-3-(phenylmethyl)phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[3-benzyl-4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)phenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[3-benzyl-4-(5-hydroxy-5-keto-4,4-dimethyl-pentoxy)phenoxy]-2,2-dimethyl-valeric acid Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H36O6/c1-26(2,24(28)29)14-8-16-32-22-12-13-23(33-17-9-15-27(3,4)25(30)31)21(19-22)18-20-10-6-5-7-11-20/h5-7,10-13,19H,8-9,14-18H2,1-4H3,(H,28,29)(H,30,31)