2-[[2-(hydroxymethyl)-3,6,6-trimethyl-4-oxidanyl-5-(sulfonatoamino)oxan-3-yl]methoxymethyl]-2-methyl-3,4-bis(oxidanyl)-3,4-dihydropyran-6-carboxylate

Systemtic Name: 2-[[2-(hydroxymethyl)-3,6,6-trimethyl-4-oxidanyl-5-(sulfonatoamino)oxan-3-yl]methoxymethyl]-2-methyl-3,4-bis(oxidanyl)-3,4-dihydropyran-6-carboxylate Openeye Name: 3,4-dihydroxy-2-[[4-hydroxy-2-(hydroxymethyl)-3,6,6-trimethyl-5-(sulfonatoamino)tetrahydropyran-3-yl]methoxymethyl]-2-methyl-3,4-dihydropyran-6-carboxylate CAS Name: 3,4-dihydroxy-2-[[4-hydroxy-2-(hydroxymethyl)-3,6,6-trimethyl-5-(sulfonatoamino)-3-oxanyl]methoxymethyl]-2-methyl-3,4-dihydropyran-6-carboxylate IUPAC Name: 3,4-dihydroxy-2-[[4-hydroxy-2-(hydroxymethyl)-3,6,6-trimethyl-5-(sulfonatoamino)oxan-3-yl]methoxymethyl]-2-methyl-3,4-dihydropyran-6-carboxylate Traditional Name: 3,4-dihydroxy-2-[[4-hydroxy-3,6,6-trimethyl-2-methylol-5-(sulfonatoamino)tetrahydropyran-3-yl]methoxymethyl]-2-methyl-3,4-dihydropyran-6-carboxylate Formula: C18H29NO12S-2 MolecularWeight: 483.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C(O1)CO)(C)COCC2(C(C(C=C(O2)C(=O)[O-])O)O)C)O)NS(=O)(=O)[O-])C

Isomeric SMILES

CC1(C(C(C(C(O1)CO)(C)COCC2(C(C(C=C(O2)C(=O)[O-])O)O)C)O)NS(=O)(=O)[O-])C

InChI

InChI=1S/C18H31NO12S/c1-16(2)12(19-32(26,27)28)14(23)17(3,11(6-20)31-16)7-29-8-18(4)13(22)9(21)5-10(30-18)15(24)25/h5,9,11-14,19-23H,6-8H2,1-4H3,(H,24,25)(H,26,27,28)/p-2