heptane-1-sulfonate hydrate

Systemtic Name: heptane-1-sulfonate hydrate Openeye Name: heptane-1-sulfonate hydrate CAS Name: 1-heptanesulfonate hydrate IUPAC Name: heptane-1-sulfonate hydrate Traditional Name: heptane-1-sulfonate hydrate Formula: C7H17O4S- MolecularWeight: 197.27248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)[O-].O

Isomeric SMILES

CCCCCCCS(=O)(=O)[O-].O

InChI

InChI=1S/C7H16O3S.H2O/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);1H2/p-1