2-octadecylsulfanylbutanedioic acid

Systemtic Name: 2-octadecylsulfanylbutanedioic acid Openeye Name: 2-octadecylsulfanylbutanedioic acid CAS Name: 2-(octadecylthio)butanedioic acid IUPAC Name: 2-octadecylsulfanylbutanedioic acid Traditional Name: 2-(stearylthio)succinic acid Formula: C22H42O4S MolecularWeight: 402.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-20(22(25)26)19-21(23)24/h20H,2-19H2,1H3,(H,23,24)(H,25,26)