[2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate; nitric acid

Systemtic Name: [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate; nitric acid Openeye Name: [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate; nitric acid CAS Name: 4-methylbenzenesulfonic acid [2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester; nitric acid IUPAC Name: [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate; nitric acid Traditional Name: 4-methylbenzenesulfonic acid [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester; nitric acid Formula: C15H19N3O8S MolecularWeight: 401.39166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)CN3C=CN=C3.[N+](=O)(O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)CN3C=CN=C3.[N+](=O)(O)[O-]

InChI

InChI=1S/C15H18N2O5S.HNO3/c1-12-2-4-14(5-3-12)23(18,19)21-10-13-9-20-15(22-13)8-17-7-6-16-11-17;2-1(3)4/h2-7,11,13,15H,8-10H2,1H3;(H,2,3,4)