3-[2-oxidanyl-3-[2-oxidanyl-2-oxidanylidene-1-(2-phenylmethoxyphenyl)ethyl]sulfanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanyl-3-[2-oxidanyl-2-oxidanylidene-1-(2-phenylmethoxyphenyl)ethyl]sulfanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-[1-(2-benzyloxyphenyl)-2-hydroxy-2-oxo-ethyl]sulfanyl-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[2-hydroxy-3-[[2-hydroxy-2-oxo-1-(2-phenylmethoxyphenyl)ethyl]thio]propyl]thio]propanoic acid IUPAC Name: 3-[2-hydroxy-3-[2-hydroxy-2-oxo-1-(2-phenylmethoxyphenyl)ethyl]sulfanylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[[1-(2-benzoxyphenyl)-2-hydroxy-2-keto-ethyl]thio]-2-hydroxy-propyl]thio]propionic acid Formula: C21H24O6S2 MolecularWeight: 436.54166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C(C(=O)O)SCC(CSCCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C(C(=O)O)SCC(CSCCC(=O)O)O

InChI

InChI=1S/C21H24O6S2/c22-16(13-28-11-10-19(23)24)14-29-20(21(25)26)17-8-4-5-9-18(17)27-12-15-6-2-1-3-7-15/h1-9,16,20,22H,10-14H2,(H,23,24)(H,25,26)