3-[2-carboxyethylsulfanyl-(5-methoxy-2-undecoxy-phenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-(5-methoxy-2-undecoxy-phenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(5-methoxy-2-undecoxy-phenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(5-methoxy-2-undecoxyphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(5-methoxy-2-undecoxyphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(5-methoxy-2-undecoxy-phenyl)methyl]thio]propionic acid Formula: C25H40O6S2 MolecularWeight: 500.7115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=C(C=C1)OC)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=C(C=C1)OC)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C25H40O6S2/c1-3-4-5-6-7-8-9-10-11-16-31-22-13-12-20(30-2)19-21(22)25(32-17-14-23(26)27)33-18-15-24(28)29/h12-13,19,25H,3-11,14-18H2,1-2H3,(H,26,27)(H,28,29)