3-[3-[3-(3-cyclopentyl-2-decoxy-phenoxy)-2,2-dimethyl-3-oxidanylidene-propyl]sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[3-(3-cyclopentyl-2-decoxy-phenoxy)-2,2-dimethyl-3-oxidanylidene-propyl]sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-[3-(3-cyclopentyl-2-decoxy-phenoxy)-2,2-dimethyl-3-oxo-propyl]sulfanyl-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-[[3-(3-cyclopentyl-2-decoxyphenoxy)-2,2-dimethyl-3-oxopropyl]thio]-2-hydroxypropyl]thio]propanoic acid IUPAC Name: 3-[3-[3-(3-cyclopentyl-2-decoxyphenoxy)-2,2-dimethyl-3-oxopropyl]sulfanyl-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[[3-(3-cyclopentyl-2-decoxy-phenoxy)-3-keto-2,2-dimethyl-propyl]thio]-2-hydroxy-propyl]thio]propionic acid Formula: C32H52O6S2 MolecularWeight: 596.88168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC=C1OC(=O)C(C)(C)CSCC(CSCCC(=O)O)O)C2CCCC2

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC=C1OC(=O)C(C)(C)CSCC(CSCCC(=O)O)O)C2CCCC2

InChI

InChI=1S/C32H52O6S2/c1-4-5-6-7-8-9-10-13-20-37-30-27(25-15-11-12-16-25)17-14-18-28(30)38-31(36)32(2,3)24-40-23-26(33)22-39-21-19-29(34)35/h14,17-18,25-26,33H,4-13,15-16,19-24H2,1-3H3,(H,34,35)