3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-(2-undecoxyphenyl)propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-(2-undecoxyphenyl)propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-(2-undecoxyphenyl)propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-hydroxy-3-(2-undecoxyphenyl)propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-(2-undecoxyphenyl)propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-(2-undecoxyphenyl)propionic acid Formula: C23H36O6S MolecularWeight: 440.59334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=CC=C1C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=CC=CC=C1C(C(C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C23H36O6S/c1-2-3-4-5-6-7-8-9-12-16-29-19-14-11-10-13-18(19)22(21(26)23(27)28)30-17-15-20(24)25/h10-11,13-14,21-22,26H,2-9,12,15-17H2,1H3,(H,24,25)(H,27,28)