(2E)-3,7-dimethyl-1-oxidanyl-octa-2,6-diene-1-sulfonate

Systemtic Name: (2E)-3,7-dimethyl-1-oxidanyl-octa-2,6-diene-1-sulfonate Openeye Name: (2E)-1-hydroxy-3,7-dimethyl-octa-2,6-diene-1-sulfonate CAS Name: (2E)-1-hydroxy-3,7-dimethyl-1-octa-2,6-dienesulfonate IUPAC Name: (2E)-1-hydroxy-3,7-dimethylocta-2,6-diene-1-sulfonate Traditional Name: (2E)-1-hydroxy-3,7-dimethyl-octa-2,6-diene-1-sulfonate Formula: C10H17O4S- MolecularWeight: 233.30458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC(O)S(=O)(=O)[O-])C)C

Isomeric SMILES

CC(=CCC/C(=C/C(O)S(=O)(=O)[O-])/C)C

InChI

InChI=1S/C10H18O4S/c1-8(2)5-4-6-9(3)7-10(11)15(12,13)14/h5,7,10-11H,4,6H2,1-3H3,(H,12,13,14)/p-1/b9-7+