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diethyl 2-(aminomethyl)propanedioate; 4-methylbenzenesulfonic acid

diethyl 2-(aminomethyl)propanedioate; 4-methylbenzenesulfonic acid

Systemtic Name:diethyl 2-(aminomethyl)propanedioate; 4-methylbenzenesulfonic acid
Openeye Name:diethyl 2-(aminomethyl)propanedioate; 4-methylbenzenesulfonic acid
CAS Name:2-(aminomethyl)propanedioic acid diethyl ester; 4-methylbenzenesulfonic acid
IUPAC Name:diethyl 2-(aminomethyl)propanedioate; 4-methylbenzenesulfonic acid
Traditional Name:2-(aminomethyl)malonic acid diethyl ester; tosylic acid
Formula: C15H23NO7S
MolecularWeight: 361.41062
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCOC(=O)C(CN)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C8H15NO4.C7H8O3S/c1-3-12-7(10)6(5-9)8(11)13-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h6H,3-5,9H2,1-2H3;2-5H,1H3,(H,8,9,10)


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