3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid; methanal

Systemtic Name: 3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid; methanal Openeye Name: 3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid; formaldehyde CAS Name: 3-(chloromethylthio)-2-(octylamino)propanoic acid; formaldehyde IUPAC Name: 3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid; formaldehyde Traditional Name: 3-(chloromethylthio)-2-(octylamino)propionic acid; formaldehyde Formula: C13H26ClNO3S MolecularWeight: 311.86844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(CSCCl)C(=O)O.C=O

Isomeric SMILES

CCCCCCCCNC(CSCCl)C(=O)O.C=O

InChI

InChI=1S/C12H24ClNO2S.CH2O/c1-2-3-4-5-6-7-8-14-11(12(15)16)9-17-10-13;1-2/h11,14H,2-10H2,1H3,(H,15,16);1H2