(4-methylmorpholin-2-yl) 4-methylbenzenesulfonate; 2-(prop-2-enoylamino)prop-2-enoic acid

Systemtic Name: (4-methylmorpholin-2-yl) 4-methylbenzenesulfonate; 2-(prop-2-enoylamino)prop-2-enoic acid Openeye Name: (4-methylmorpholin-2-yl) 4-methylbenzenesulfonate; 2-(prop-2-enoylamino)prop-2-enoic acid CAS Name: 4-methylbenzenesulfonic acid (4-methyl-2-morpholinyl) ester; 2-(1-oxoprop-2-enylamino)-2-propenoic acid IUPAC Name: (4-methylmorpholin-2-yl) 4-methylbenzenesulfonate; 2-(prop-2-enoylamino)prop-2-enoic acid Traditional Name: 2-acrylamidoacrylic acid; 4-methylbenzenesulfonic acid (4-methylmorpholin-2-yl) ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CCO2)C.C=CC(=O)NC(=C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CCO2)C.C=CC(=O)NC(=C)C(=O)O

InChI

InChI=1S/C12H17NO4S.C6H7NO3/c1-10-3-5-11(6-4-10)18(14,15)17-12-9-13(2)7-8-16-12;1-3-5(8)7-4(2)6(9)10/h3-6,12H,7-9H2,1-2H3;3H,1-2H2,(H,7,8)(H,9,10)