2-chloranylethanal; 2-[[3-(dimethylamino)phenyl]carbonylamino]-3-dodecylsulfanyl-propanoic acid

Systemtic Name: 2-chloranylethanal; 2-[[3-(dimethylamino)phenyl]carbonylamino]-3-dodecylsulfanyl-propanoic acid Openeye Name: 2-chloroacetaldehyde; 2-[[3-(dimethylamino)benzoyl]amino]-3-dodecylsulfanyl-propanoic acid CAS Name: 2-chloroacetaldehyde; 2-[[[3-(dimethylamino)phenyl]-oxomethyl]amino]-3-(dodecylthio)propanoic acid IUPAC Name: 2-chloroacetaldehyde; 2-[[3-(dimethylamino)benzoyl]amino]-3-dodecylsulfanylpropanoic acid Traditional Name: 2-chloroacetaldehyde; 2-[[3-(dimethylamino)benzoyl]amino]-3-(laurylthio)propionic acid Formula: C26H43ClN2O4S MolecularWeight: 515.14862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)C1=CC(=CC=C1)N(C)C.C(C=O)Cl

Isomeric SMILES

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)C1=CC(=CC=C1)N(C)C.C(C=O)Cl

InChI

InChI=1S/C24H40N2O3S.C2H3ClO/c1-4-5-6-7-8-9-10-11-12-13-17-30-19-22(24(28)29)25-23(27)20-15-14-16-21(18-20)26(2)3;3-1-2-4/h14-16,18,22H,4-13,17,19H2,1-3H3,(H,25,27)(H,28,29);2H,1H2