2-methylbenzenesulfonic acid; 4-methylmorpholine

Systemtic Name: 2-methylbenzenesulfonic acid; 4-methylmorpholine Openeye Name: 2-methylbenzenesulfonic acid; 4-methylmorpholine CAS Name: 2-methylbenzenesulfonic acid; 4-methylmorpholine IUPAC Name: 2-methylbenzenesulfonic acid; 4-methylmorpholine Traditional Name: 2-methylbesylic acid; 4-methylmorpholine Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.CN1CCOCC1

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.CN1CCOCC1

InChI

InChI=1S/C7H8O3S.C5H11NO/c1-6-4-2-3-5-7(6)11(8,9)10;1-6-2-4-7-5-3-6/h2-5H,1H3,(H,8,9,10);2-5H2,1H3