sodium (2,4-dimethylcyclohex-3-en-1-yl)-oxidanyl-methanesulfonate

Systemtic Name: sodium (2,4-dimethylcyclohex-3-en-1-yl)-oxidanyl-methanesulfonate Openeye Name: sodium (2,4-dimethylcyclohex-3-en-1-yl)-hydroxy-methanesulfonate CAS Name: sodium (2,4-dimethyl-1-cyclohex-3-enyl)-hydroxymethanesulfonate IUPAC Name: sodium (2,4-dimethylcyclohex-3-en-1-yl)-hydroxymethanesulfonate Traditional Name: sodium (2,4-dimethylcyclohex-3-en-1-yl)-hydroxy-methanesulfonate Formula: C9H15NaO4S MolecularWeight: 242.26777

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(CCC1C(O)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1C=C(CCC1C(O)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C9H16O4S.Na/c1-6-3-4-8(7(2)5-6)9(10)14(11,12)13;/h5,7-10H,3-4H2,1-2H3,(H,11,12,13);/q;+1/p-1