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

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodecylphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodecylphenyl)-2-hydroxy-propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-(2-dodecylphenyl)-2-hydroxypropanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodecylphenyl)-2-hydroxypropanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-(2-laurylphenyl)propionic acid Formula: C24H38O5S MolecularWeight: 438.62052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C24H38O5S/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)23(22(27)24(28)29)30-18-17-21(25)26/h12-13,15-16,22-23,27H,2-11,14,17-18H2,1H3,(H,25,26)(H,28,29)