ethanoic acid; morpholin-4-ylmethyl 3-methylbenzenesulfonate

Systemtic Name: ethanoic acid; morpholin-4-ylmethyl 3-methylbenzenesulfonate Openeye Name: acetic acid; morpholinomethyl 3-methylbenzenesulfonate CAS Name: acetic acid; 3-methylbenzenesulfonic acid 4-morpholinylmethyl ester IUPAC Name: acetic acid; morpholin-4-ylmethyl 3-methylbenzenesulfonate Traditional Name: acetic acid; 3-methylbenzenesulfonic acid morpholinomethyl ester Formula: C14H21NO6S MolecularWeight: 331.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OCN2CCOCC2.CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OCN2CCOCC2.CC(=O)O

InChI

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