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

Systemtic Name: 3-[3-[3-(3-cyclopentyl-2-undecoxy-phenoxy)-2,2-dimethyl-3-oxidanylidene-propyl]sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-[3-(3-cyclopentyl-2-undecoxy-phenoxy)-2,2-dimethyl-3-oxo-propyl]sulfanyl-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-[[3-(3-cyclopentyl-2-undecoxyphenoxy)-2,2-dimethyl-3-oxopropyl]thio]-2-hydroxypropyl]thio]propanoic acid IUPAC Name: 3-[3-[3-(3-cyclopentyl-2-undecoxyphenoxy)-2,2-dimethyl-3-oxopropyl]sulfanyl-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[[3-(3-cyclopentyl-2-undecoxy-phenoxy)-3-keto-2,2-dimethyl-propyl]thio]-2-hydroxy-propyl]thio]propionic acid Formula: C33H54O6S2 MolecularWeight: 610.90826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=CC=C1OC(=O)C(C)(C)CSCC(CSCCC(=O)O)O)C2CCCC2

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=CC=C1OC(=O)C(C)(C)CSCC(CSCCC(=O)O)O)C2CCCC2

InChI

InChI=1S/C33H54O6S2/c1-4-5-6-7-8-9-10-11-14-21-38-31-28(26-16-12-13-17-26)18-15-19-29(31)39-32(37)33(2,3)25-41-24-27(34)23-40-22-20-30(35)36/h15,18-19,26-27,34H,4-14,16-17,20-25H2,1-3H3,(H,35,36)