2-[2,4-bis(oxidanyl)-6-oxidanylidene-5-(sulfoamino)-1-sulfooxy-hexan-3-yl]oxy-4-oxidanyl-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 2-[2,4-bis(oxidanyl)-6-oxidanylidene-5-(sulfoamino)-1-sulfooxy-hexan-3-yl]oxy-4-oxidanyl-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 4-hydroxy-2-[2-hydroxy-1-(1-hydroxy-2-sulfooxy-ethyl)-4-oxo-3-(sulfoamino)butoxy]-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 2-[2,4-dihydroxy-6-oxo-5-(sulfoamino)-1-sulfooxyhexan-3-yl]oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 2-[2,4-dihydroxy-6-oxo-5-(sulfoamino)-1-sulfooxyhexan-3-yl]oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 4-hydroxy-2-[2-hydroxy-1-(1-hydroxy-2-sulfoxy-ethyl)-4-keto-3-(sulfoamino)butoxy]-3-sulfoxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C12H19NO19S3 MolecularWeight: 577.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(C(C1O)OS(=O)(=O)O)OC(C(COS(=O)(=O)O)O)C(C(C=O)NS(=O)(=O)O)O)C(=O)O

Isomeric SMILES

C1=C(OC(C(C1O)OS(=O)(=O)O)OC(C(COS(=O)(=O)O)O)C(C(C=O)NS(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C12H19NO19S3/c14-2-4(13-33(20,21)22)8(17)9(6(16)3-29-34(23,24)25)31-12-10(32-35(26,27)28)5(15)1-7(30-12)11(18)19/h1-2,4-6,8-10,12-13,15-17H,3H2,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)