1,5,7-trisulfooxyheptan-3-yl hydrogen sulfate

Systemtic Name: 1,5,7-trisulfooxyheptan-3-yl hydrogen sulfate Openeye Name: [3,5-disulfooxy-1-(2-sulfooxyethyl)pentyl] hydrogen sulfate CAS Name: sulfuric acid 1,5,7-trisulfooxyheptan-3-yl ester IUPAC Name: 1,5,7-trisulfooxyheptan-3-yl hydrogen sulfate Traditional Name: sulfuric acid [3,5-disulfoxy-1-(2-sulfoxyethyl)pentyl] ester Formula: C7H16O16S4 MolecularWeight: 484.45234

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Descriptors Computed from Structure

Canonical SMILES:

C(COS(=O)(=O)O)C(CC(CCOS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C(COS(=O)(=O)O)C(CC(CCOS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C7H16O16S4/c8-24(9,10)20-3-1-6(22-26(14,15)16)5-7(23-27(17,18)19)2-4-21-25(11,12)13/h6-7H,1-5H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)