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

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodecylphenyl)-2-methyl-propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodecylphenyl)-2-methyl-propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-(2-dodecylphenyl)-2-methylpropanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodecylphenyl)-2-methylpropanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-(2-laurylphenyl)-2-methyl-propionic acid Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4S/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-14-17-22(21)24(20(2)25(28)29)30-19-18-23(26)27/h13-14,16-17,20,24H,3-12,15,18-19H2,1-2H3,(H,26,27)(H,28,29)