2-methyl-4-oxidanyl-3-sulfooxy-2-[[3,6,6-trimethyl-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3,4-dihydropyran-6-carboxylic acid

Systemtic Name: 2-methyl-4-oxidanyl-3-sulfooxy-2-[[3,6,6-trimethyl-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3,4-dihydropyran-6-carboxylic acid Openeye Name: 4-hydroxy-2-[[4-hydroxy-3,6,6-trimethyl-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]methoxymethyl]-2-methyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid CAS Name: 4-hydroxy-2-[[4-hydroxy-3,6,6-trimethyl-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]methoxymethyl]-2-methyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid IUPAC Name: 4-hydroxy-2-[[4-hydroxy-3,6,6-trimethyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-2-methyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid Traditional Name: 4-hydroxy-2-[[4-hydroxy-3,6,6-trimethyl-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]methoxymethyl]-2-methyl-3-sulfoxy-3,4-dihydropyran-6-carboxylic acid Formula: C18H31NO18S3 MolecularWeight: 645.62964

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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)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)OS(=O)(=O)O)C)O)NS(=O)(=O)O)C

InChI

InChI=1S/C18H31NO18S3/c1-16(2)12(19-38(24,25)26)13(21)17(3,11(36-16)6-34-39(27,28)29)7-33-8-18(4)14(37-40(30,31)32)9(20)5-10(35-18)15(22)23/h5,9,11-14,19-21H,6-8H2,1-4H3,(H,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)