2-octadecyl-2-sulfanyl-butanedioic acid

Systemtic Name: 2-octadecyl-2-sulfanyl-butanedioic acid Openeye Name: 2-octadecyl-2-sulfanyl-butanedioic acid CAS Name: 2-mercapto-2-octadecylbutanedioic acid IUPAC Name: 2-octadecyl-2-sulfanylbutanedioic acid Traditional Name: 2-mercapto-2-stearyl-succinic acid Formula: C22H42O4S MolecularWeight: 402.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)S

InChI

InChI=1S/C22H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27,21(25)26)19-20(23)24/h27H,2-19H2,1H3,(H,23,24)(H,25,26)