azanium N-[4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)phenyl]sulfamate

Systemtic Name: azanium N-[4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl)phenyl]sulfamate Openeye Name: ammonium N-[4-(3-methoxy-2-methoxycarbonyl-3-oxo-propyl)phenyl]sulfamate CAS Name: ammonium N-[4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenyl]sulfamate IUPAC Name: azanium N-[4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenyl]sulfamate Traditional Name: ammonium N-[4-(2-carbomethoxy-3-keto-3-methoxy-propyl)phenyl]sulfamate Formula: C12H18N2O7S MolecularWeight: 334.34552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])C(=O)OC.[NH4+]

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])C(=O)OC.[NH4+]

InChI

InChI=1S/C12H15NO7S.H3N/c1-19-11(14)10(12(15)20-2)7-8-3-5-9(6-4-8)13-21(16,17)18;/h3-6,10,13H,7H2,1-2H3,(H,16,17,18);1H3