[2-methoxy-5-[(5-methoxy-3,4-disulfooxy-oxan-2-yl)methoxymethyl]-3-sulfooxy-oxan-4-yl] hydrogen sulfate

Systemtic Name: [2-methoxy-5-[(5-methoxy-3,4-disulfooxy-oxan-2-yl)methoxymethyl]-3-sulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: [2-methoxy-5-[(5-methoxy-3,4-disulfooxy-tetrahydropyran-2-yl)methoxymethyl]-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [2-methoxy-5-[(5-methoxy-3,4-disulfooxy-2-oxanyl)methoxymethyl]-3-sulfooxy-4-oxanyl] ester IUPAC Name: [2-methoxy-5-[(5-methoxy-3,4-disulfooxyoxan-2-yl)methoxymethyl]-3-sulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-methoxy-5-[(5-methoxy-3,4-disulfoxy-tetrahydropyran-2-yl)methoxymethyl]-3-sulfoxy-tetrahydropyran-4-yl] ester Formula: C14H26O21S4 MolecularWeight: 658.60364

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Descriptors Computed from Structure

Canonical SMILES:

COC1COC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC2COC(C(C2OS(=O)(=O)O)OS(=O)(=O)O)OC

Isomeric SMILES

COC1COC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC2COC(C(C2OS(=O)(=O)O)OS(=O)(=O)O)OC

InChI

InChI=1S/C14H26O21S4/c1-27-8-6-30-9(12(34-38(21,22)23)11(8)33-37(18,19)20)5-29-3-7-4-31-14(28-2)13(35-39(24,25)26)10(7)32-36(15,16)17/h7-14H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)