heptane-1,3,5-triol trisulfate

Systemtic Name: heptane-1,3,5-triol trisulfate Openeye Name: heptane-1,3,5-triol trisulfate CAS Name: heptane-1,3,5-triol trisulfate IUPAC Name: heptane-1,3,5-triol trisulfate Traditional Name: heptane-1,3,5-triol trisulfate Formula: C7H16O15S3-6 MolecularWeight: 436.38794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CCO)O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC(CC(CCO)O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C7H16O3.3H2O4S/c1-2-6(9)5-7(10)3-4-8;3*1-5(2,3)4/h6-10H,2-5H2,1H3;3*(H2,1,2,3,4)/p-6