[4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxidanylidene-hexyl]phenyl]sulfamic acid

Systemtic Name: [4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxidanylidene-hexyl]phenyl]sulfamic acid Openeye Name: [4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxo-hexyl]phenyl]sulfamic acid CAS Name: [4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxohexyl]phenyl]sulfamic acid IUPAC Name: [4-[6-methoxy-2,2-bis(methoxycarbonyl)-6-oxohexyl]phenyl]sulfamic acid Traditional Name: [4-(2,2-dicarbomethoxy-6-keto-6-methoxy-hexyl)phenyl]sulfamic acid Formula: C17H23NO9S MolecularWeight: 417.43082

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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

Isomeric SMILES

COC(=O)CCCC(CC1=CC=C(C=C1)NS(=O)(=O)O)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H23NO9S/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)