2-chloranylethanal; 3-dodecylsulfanyl-2-(propoxycarbonylamino)propanoic acid

Systemtic Name: 2-chloranylethanal; 3-dodecylsulfanyl-2-(propoxycarbonylamino)propanoic acid Openeye Name: 2-chloroacetaldehyde; 3-dodecylsulfanyl-2-(propoxycarbonylamino)propanoic acid CAS Name: 2-chloroacetaldehyde; 3-(dodecylthio)-2-[[oxo(propoxy)methyl]amino]propanoic acid IUPAC Name: 2-chloroacetaldehyde; 3-dodecylsulfanyl-2-(propoxycarbonylamino)propanoic acid Traditional Name: 2-chloroacetaldehyde; 3-(laurylthio)-2-(propoxycarbonylamino)propionic acid Formula: C21H40ClNO5S MolecularWeight: 454.064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)OCCC.C(C=O)Cl

Isomeric SMILES

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)OCCC.C(C=O)Cl

InChI

InChI=1S/C19H37NO4S.C2H3ClO/c1-3-5-6-7-8-9-10-11-12-13-15-25-16-17(18(21)22)20-19(23)24-14-4-2;3-1-2-4/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22);2H,1H2