bis(2-methylpropyl) 2-azanylpropanedioate; 4-methylbenzenesulfonic acid

Systemtic Name: bis(2-methylpropyl) 2-azanylpropanedioate; 4-methylbenzenesulfonic acid Openeye Name: diisobutyl 2-aminopropanedioate; 4-methylbenzenesulfonic acid CAS Name: 2-aminopropanedioic acid bis(2-methylpropyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: bis(2-methylpropyl) 2-aminopropanedioate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminomalonic acid diisobutyl ester; tosylic acid Formula: C18H29NO7S MolecularWeight: 403.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)COC(=O)C(C(=O)OCC(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)COC(=O)C(C(=O)OCC(C)C)N

InChI

InChI=1S/C11H21NO4.C7H8O3S/c1-7(2)5-15-10(13)9(12)11(14)16-6-8(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,5-6,12H2,1-4H3;2-5H,1H3,(H,8,9,10)