3-(2-carboxyethylsulfanyl)-3-dodecyl-pentadecanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-dodecyl-pentadecanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-dodecyl-pentadecanoic acid CAS Name: 3-(2-carboxyethylthio)-3-dodecylpentadecanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-dodecylpentadecanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-lauryl-pentadecanoic acid Formula: C30H58O4S MolecularWeight: 514.84412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(CC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-24-30(27-29(33)34,35-26-23-28(31)32)25-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3,(H,31,32)(H,33,34)