2-[[5-azaniumyl-3,6,6-trimethyl-4-oxidanyl-2-(sulfonatooxymethyl)oxan-3-yl]methoxymethyl]-2-methyl-4-oxidanyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate

Systemtic Name: 2-[[5-azaniumyl-3,6,6-trimethyl-4-oxidanyl-2-(sulfonatooxymethyl)oxan-3-yl]methoxymethyl]-2-methyl-4-oxidanyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate Openeye Name: 2-[[5-azaniumyl-4-hydroxy-3,6,6-trimethyl-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate CAS Name: 2-[[5-ammonio-4-hydroxy-3,6,6-trimethyl-2-(sulfonatooxymethyl)-3-oxanyl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate IUPAC Name: 2-[[5-azaniumyl-4-hydroxy-3,6,6-trimethyl-2-(sulfonatooxymethyl)oxan-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate Traditional Name: 2-[[5-ammonio-4-hydroxy-3,6,6-trimethyl-2-(sulfatomethyl)tetrahydropyran-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfato-3,4-dihydropyran-6-carboxylate Formula: C18H29NO15S2-2 MolecularWeight: 563.55056

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C(O1)COS(=O)(=O)[O-])(C)COCC2(C(C(C=C(O2)C(=O)[O-])O)OS(=O)(=O)[O-])C)O)[NH3+])C

Isomeric SMILES

CC1(C(C(C(C(O1)COS(=O)(=O)[O-])(C)COCC2(C(C(C=C(O2)C(=O)[O-])O)OS(=O)(=O)[O-])C)O)[NH3+])C

InChI

InChI=1S/C18H31NO15S2/c1-16(2)12(19)13(21)17(3,11(33-16)6-31-35(24,25)26)7-30-8-18(4)14(34-36(27,28)29)9(20)5-10(32-18)15(22)23/h5,9,11-14,20-21H,6-8,19H2,1-4H3,(H,22,23)(H,24,25,26)(H,27,28,29)/p-2