methyl hydrogen sulfate; 1-(pentan-3-ylamino)propan-2-yl 2-methylprop-2-enoate

Systemtic Name: methyl hydrogen sulfate; 1-(pentan-3-ylamino)propan-2-yl 2-methylprop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-1-methyl-ethyl] 2-methylprop-2-enoate; methyl hydrogen sulfate CAS Name: 2-methyl-2-propenoic acid 1-(pentan-3-ylamino)propan-2-yl ester; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 1-(pentan-3-ylamino)propan-2-yl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [2-(1-ethylpropylamino)-1-methyl-ethyl] ester; sulfuric acid methyl ester Formula: C13H27NO6S MolecularWeight: 325.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC(C)OC(=O)C(=C)C.COS(=O)(=O)O

Isomeric SMILES

CCC(CC)NCC(C)OC(=O)C(=C)C.COS(=O)(=O)O

InChI

InChI=1S/C12H23NO2.CH4O4S/c1-6-11(7-2)13-8-10(5)15-12(14)9(3)4;1-5-6(2,3)4/h10-11,13H,3,6-8H2,1-2,4-5H3;1H3,(H,2,3,4)