azanium N-[4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxidanylidene-hexyl]phenyl]sulfamate

Systemtic Name: azanium N-[4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxidanylidene-hexyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxo-hexyl]phenyl]sulfamate CAS Name: ammonium N-[4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxohexyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxohexyl]phenyl]sulfamate Traditional Name: ammonium N-[4-(2,2-dicarbomethoxy-6-keto-6-methoxy-hexyl)phenyl]sulfamate Formula: C17H26N2O9S MolecularWeight: 434.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO9S.H3N/c1-25-14(19)5-4-10-17(15(20)26-2,16(21)27-3)11-12-6-8-13(9-7-12)18-28(22,23)24;/h6-9,18H,4-5,10-11H2,1-3H3,(H,22,23,24);1H3