(3S,5R)-3-azanyl-5-(2-azidoethyl)oxolan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: (3S,5R)-3-azanyl-5-(2-azidoethyl)oxolan-2-one; 4-methylbenzenesulfonic acid Openeye Name: (3S,5R)-3-amino-5-(2-azidoethyl)tetrahydrofuran-2-one; 4-methylbenzenesulfonic acid CAS Name: (3S,5R)-3-amino-5-(2-azidoethyl)-2-oxolanone; 4-methylbenzenesulfonic acid IUPAC Name: (3S,5R)-3-amino-5-(2-azidoethyl)oxolan-2-one; 4-methylbenzenesulfonic acid Traditional Name: (3S,5R)-3-amino-5-(2-azidoethyl)tetrahydrofuran-2-one; tosylic acid Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(OC(=O)C1N)CCN=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@H](OC(=O)[C@H]1N)CCN=[N+]=[N-]

InChI

InChI=1S/C7H8O3S.C6H10N4O2/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-4(12-6(5)11)1-2-9-10-8/h2-5H,1H3,(H,8,9,10);4-5H,1-3,7H2/t;4-,5+/m.1/s1