ethanoic acid; morpholin-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: ethanoic acid; morpholin-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: acetic acid; morpholin-2-ylmethyl 4-methylbenzenesulfonate CAS Name: acetic acid; 4-methylbenzenesulfonic acid 2-morpholinylmethyl ester IUPAC Name: acetic acid; morpholin-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: acetic acid; 4-methylbenzenesulfonic acid morpholin-2-ylmethyl ester Formula: C14H21NO6S MolecularWeight: 331.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CNCCO2.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CNCCO2.CC(=O)O

InChI

InChI=1S/C12H17NO4S.C2H4O2/c1-10-2-4-12(5-3-10)18(14,15)17-9-11-8-13-6-7-16-11;1-2(3)4/h2-5,11,13H,6-9H2,1H3;1H3,(H,3,4)