butyl prop-2-enoate; 2-methylprop-2-enoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; prop-2-enenitrile

Systemtic Name: butyl prop-2-enoate; 2-methylprop-2-enoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; prop-2-enenitrile Openeye Name: butyl prop-2-enoate; 2-methylprop-2-enoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; prop-2-enenitrile CAS Name: 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonic acid; 2-methyl-2-propenoic acid; 2-propenenitrile; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; 2-methylprop-2-enoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; prop-2-enenitrile Traditional Name: 2-acrylamido-2-methyl-propane-1-sulfonic acid; acrylic acid butyl ester; acrylonitrile; methacrylic acid Formula: C21H34N2O8S MolecularWeight: 474.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(=C)C(=O)O.CC(C)(CS(=O)(=O)O)NC(=O)C=C.C=CC#N

Isomeric SMILES

CCCCOC(=O)C=C.CC(=C)C(=O)O.CC(C)(CS(=O)(=O)O)NC(=O)C=C.C=CC#N

InChI

InChI=1S/C7H13NO4S.C7H12O2.C4H6O2.C3H3N/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-3-5-6-9-7(8)4-2;1-3(2)4(5)6;1-2-3-4/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);4H,2-3,5-6H2,1H3;1H2,2H3,(H,5,6);2H,1H2