sodium 7-methoxy-7-oxidanylidene-heptane-1-sulfonate

Systemtic Name: sodium 7-methoxy-7-oxidanylidene-heptane-1-sulfonate Openeye Name: sodium 7-methoxy-7-oxo-heptane-1-sulfonate CAS Name: sodium 7-methoxy-7-oxo-1-heptanesulfonate IUPAC Name: sodium 7-methoxy-7-oxoheptane-1-sulfonate Traditional Name: sodium 7-keto-7-methoxy-heptane-1-sulfonate Formula: C8H15NaO5S MolecularWeight: 246.25647

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC(=O)CCCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H16O5S.Na/c1-13-8(9)6-4-2-3-5-7-14(10,11)12;/h2-7H2,1H3,(H,10,11,12);/q;+1/p-1