3-[3-[1-(3-cyclopentyl-2-phenethyloxy-phenoxy)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[1-(3-cyclopentyl-2-phenethyloxy-phenoxy)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-[2-(3-cyclopentyl-2-phenethyloxy-phenoxy)-1,1-dimethyl-2-oxo-ethyl]sulfanyl-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-[[1-(3-cyclopentyl-2-phenethyloxyphenoxy)-2-methyl-1-oxopropan-2-yl]thio]-2-hydroxypropyl]thio]propanoic acid IUPAC Name: 3-[3-[1-(3-cyclopentyl-2-phenethyloxyphenoxy)-2-methyl-1-oxopropan-2-yl]sulfanyl-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[[2-(3-cyclopentyl-2-phenethyloxy-phenoxy)-2-keto-1,1-dimethyl-ethyl]thio]-2-hydroxy-propyl]thio]propionic acid Formula: C29H38O6S2 MolecularWeight: 546.73842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC=CC(=C1OCCC2=CC=CC=C2)C3CCCC3)SCC(CSCCC(=O)O)O

Isomeric SMILES

CC(C)(C(=O)OC1=CC=CC(=C1OCCC2=CC=CC=C2)C3CCCC3)SCC(CSCCC(=O)O)O

InChI

InChI=1S/C29H38O6S2/c1-29(2,37-20-23(30)19-36-18-16-26(31)32)28(33)35-25-14-8-13-24(22-11-6-7-12-22)27(25)34-17-15-21-9-4-3-5-10-21/h3-5,8-10,13-14,22-23,30H,6-7,11-12,15-20H2,1-2H3,(H,31,32)