[2-azanyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxidanylidene-ethyl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-azanyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxidanylidene-ethyl] 4-chloranylbenzenesulfonate Openeye Name: [2-amino-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxo-ethyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-amino-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxoethyl] ester IUPAC Name: [2-amino-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxoethyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-amino-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-keto-ethyl] ester Formula: C13H16ClNO6S MolecularWeight: 349.78724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C(=O)N)OS(=O)(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1(OCC(O1)C(C(=O)N)OS(=O)(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C13H16ClNO6S/c1-13(2)19-7-10(20-13)11(12(15)16)21-22(17,18)9-5-3-8(14)4-6-9/h3-6,10-11H,7H2,1-2H3,(H2,15,16)