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

Systemtic Name: [3-[[6-carboxy-2-methyl-3,4-bis(oxidanyl)-3,4-dihydropyran-2-yl]methoxymethyl]-3,6,6-trimethyl-4-oxidanyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate Openeye Name: [3-[(6-carboxy-3,4-dihydroxy-2-methyl-3,4-dihydropyran-2-yl)methoxymethyl]-4-hydroxy-3,6,6-trimethyl-5-(sulfonatoamino)tetrahydropyran-2-yl]methyl sulfate CAS Name: [3-[(6-carboxy-3,4-dihydroxy-2-methyl-3,4-dihydropyran-2-yl)methoxymethyl]-4-hydroxy-3,6,6-trimethyl-5-(sulfonatoamino)-2-oxanyl]methyl sulfate IUPAC Name: [3-[(6-carboxy-3,4-dihydroxy-2-methyl-3,4-dihydropyran-2-yl)methoxymethyl]-4-hydroxy-3,6,6-trimethyl-5-(sulfonatoamino)oxan-2-yl]methyl sulfate Traditional Name: [3-[(6-carboxy-3,4-dihydroxy-2-methyl-3,4-dihydropyran-2-yl)methoxymethyl]-4-hydroxy-3,6,6-trimethyl-5-(sulfonatoamino)tetrahydropyran-2-yl]methyl sulfate 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)O)C)O)NS(=O)(=O)[O-])C

Isomeric SMILES

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

InChI

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