[4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxidanylidene-butyl]phenyl]sulfamic acid

Systemtic Name: [4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxidanylidene-butyl]phenyl]sulfamic acid Openeye Name: [4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxo-butyl]phenyl]sulfamic acid CAS Name: [4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxobutyl]phenyl]sulfamic acid IUPAC Name: [4-[4-ethoxy-2,2-bis(methoxycarbonyl)-4-oxobutyl]phenyl]sulfamic acid Traditional Name: [4-(2,2-dicarbomethoxy-4-ethoxy-4-keto-butyl)phenyl]sulfamic acid Formula: C16H21NO9S MolecularWeight: 403.40424

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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

Isomeric SMILES

CCOC(=O)CC(CC1=CC=C(C=C1)NS(=O)(=O)O)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H21NO9S/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)