bis(prop-2-enyl) 2-azanylpentanedioate; 4-methylbenzenesulfonic acid

Systemtic Name: bis(prop-2-enyl) 2-azanylpentanedioate; 4-methylbenzenesulfonic acid Openeye Name: diallyl 2-aminopentanedioate; 4-methylbenzenesulfonic acid CAS Name: 2-aminopentanedioic acid bis(prop-2-enyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: bis(prop-2-enyl) 2-aminopentanedioate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminoglutaric acid diallyl ester; tosylic acid Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO4.C7H8O3S/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,9H,1-2,5-8,12H2;2-5H,1H3,(H,8,9,10)