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

Systemtic Name: 5-[4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentoxy)-3-phenylsulfanyl-phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxo-pentoxy)-3-phenylsulfanyl-phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)-3-(phenylthio)phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)-3-phenylsulfanylphenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-(5-hydroxy-5-keto-4,4-dimethyl-pentoxy)-3-(phenylthio)phenoxy]-2,2-dimethyl-valeric acid Formula: C26H34O6S MolecularWeight: 474.60956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H34O6S/c1-25(2,23(27)28)14-8-16-31-19-12-13-21(32-17-9-15-26(3,4)24(29)30)22(18-19)33-20-10-6-5-7-11-20/h5-7,10-13,18H,8-9,14-17H2,1-4H3,(H,27,28)(H,29,30)