3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-(5-oxidanyl-2-undecoxy-phenyl)propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-(5-oxidanyl-2-undecoxy-phenyl)propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-(5-hydroxy-2-undecoxy-phenyl)propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-hydroxy-3-(5-hydroxy-2-undecoxyphenyl)propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-(5-hydroxy-2-undecoxyphenyl)propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-(5-hydroxy-2-undecoxy-phenyl)propionic acid Formula: C23H36O7S MolecularWeight: 456.59274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O7S/c1-2-3-4-5-6-7-8-9-10-14-30-19-12-11-17(24)16-18(19)22(21(27)23(28)29)31-15-13-20(25)26/h11-12,16,21-22,24,27H,2-10,13-15H2,1H3,(H,25,26)(H,28,29)