2-azanyl-2-oxidanyl-butanedinitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-2-oxidanyl-butanedinitrile; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-2-hydroxy-butanedinitrile; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-hydroxybutanedinitrile; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-2-hydroxybutanedinitrile; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-2-hydroxy-succinonitrile; tosylic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(C#N)C(C#N)(N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(C#N)C(C#N)(N)O

InChI

InChI=1S/C7H8O3S.C4H5N3O/c1-6-2-4-7(5-3-6)11(8,9)10;5-2-1-4(7,8)3-6/h2-5H,1H3,(H,8,9,10);8H,1,7H2