sodium 2-ethoxycarbonylcyclohexene-1-sulfonate

Systemtic Name: sodium 2-ethoxycarbonylcyclohexene-1-sulfonate Openeye Name: sodium 2-ethoxycarbonylcyclohexene-1-sulfonate CAS Name: sodium 2-ethoxycarbonyl-1-cyclohexenesulfonate IUPAC Name: sodium 2-ethoxycarbonylcyclohexene-1-sulfonate Traditional Name: sodium 2-carbethoxycyclohexene-1-sulfonate Formula: C9H13NaO5S MolecularWeight: 256.25129

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCCC1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C1=C(CCCC1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H14O5S.Na/c1-2-14-9(10)7-5-3-4-6-8(7)15(11,12)13;/h2-6H2,1H3,(H,11,12,13);/q;+1/p-1