2,2-bis(hydroxymethyl)-3-oxidanyl-heptane-1-sulfonic acid

Systemtic Name: 2,2-bis(hydroxymethyl)-3-oxidanyl-heptane-1-sulfonic acid Openeye Name: 3-hydroxy-2,2-bis(hydroxymethyl)heptane-1-sulfonic acid CAS Name: 3-hydroxy-2,2-bis(hydroxymethyl)-1-heptanesulfonic acid IUPAC Name: 3-hydroxy-2,2-bis(hydroxymethyl)heptane-1-sulfonic acid Traditional Name: 3-hydroxy-2,2-dimethylol-heptane-1-sulfonic acid Formula: C9H20O6S MolecularWeight: 256.3165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CO)(CO)CS(=O)(=O)O)O

Isomeric SMILES

CCCCC(C(CO)(CO)CS(=O)(=O)O)O

InChI

InChI=1S/C9H20O6S/c1-2-3-4-8(12)9(5-10,6-11)7-16(13,14)15/h8,10-12H,2-7H2,1H3,(H,13,14,15)