bis(prop-2-enyl) (2S)-2-azanylbutanedioate; 4-methylbenzenesulfonic acid

Systemtic Name: bis(prop-2-enyl) (2S)-2-azanylbutanedioate; 4-methylbenzenesulfonic acid Openeye Name: diallyl (2S)-2-aminobutanedioate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-aminobutanedioic acid bis(prop-2-enyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: bis(prop-2-enyl) (2S)-2-aminobutanedioate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-aminosuccinic acid diallyl ester; tosylic acid Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C=CCOC(=O)C[C@@H](C(=O)OCC=C)N

InChI

InChI=1S/C10H15NO4.C7H8O3S/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8H,1-2,5-7,11H2;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1