sodium [(2E,6Z)-8-acetyloxy-2,6-dimethyl-1-oxidanyl-octa-2,6-dienyl] sulfate

Systemtic Name: sodium [(2E,6Z)-8-acetyloxy-2,6-dimethyl-1-oxidanyl-octa-2,6-dienyl] sulfate Openeye Name: sodium [(2E,6Z)-8-acetoxy-1-hydroxy-2,6-dimethyl-octa-2,6-dienyl] sulfate CAS Name: sodium [(2E,6Z)-8-acetyloxy-1-hydroxy-2,6-dimethylocta-2,6-dienyl] sulfate IUPAC Name: sodium [(2E,6Z)-8-acetyloxy-1-hydroxy-2,6-dimethylocta-2,6-dienyl] sulfate Traditional Name: sodium [(2E,6Z)-8-acetoxy-1-hydroxy-2,6-dimethyl-octa-2,6-dienyl] sulfate Formula: C12H19NaO7S MolecularWeight: 330.32983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C)CCC=C(C)C(O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C/C(=C/COC(=O)C)/CC/C=C(\C)/C(O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H20O7S.Na/c1-9(7-8-18-11(3)13)5-4-6-10(2)12(14)19-20(15,16)17;/h6-7,12,14H,4-5,8H2,1-3H3,(H,15,16,17);/q;+1/p-1/b9-7-,10-6+;