azanium N-[4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxidanylidene-butyl]phenyl]sulfamate

Systemtic Name: azanium N-[4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxidanylidene-butyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxo-butyl]phenyl]sulfamate CAS Name: ammonium N-[4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxobutyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxobutyl]phenyl]sulfamate Traditional Name: ammonium N-[4-(2,2-dicarbomethoxy-4-ethoxy-4-keto-butyl)phenyl]sulfamate Formula: C16H24N2O9S MolecularWeight: 420.43476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO9S.H3N/c1-4-26-13(18)10-16(14(19)24-2,15(20)25-3)9-11-5-7-12(8-6-11)17-27(21,22)23;/h5-8,17H,4,9-10H2,1-3H3,(H,21,22,23);1H3