(5E)-6,10-dimethyl-1-phosphono-undeca-5,9-diene-1-sulfonic acid

Systemtic Name: (5E)-6,10-dimethyl-1-phosphono-undeca-5,9-diene-1-sulfonic acid Openeye Name: (5E)-6,10-dimethyl-1-phosphono-undeca-5,9-diene-1-sulfonic acid CAS Name: (5E)-6,10-dimethyl-1-phosphono-1-undeca-5,9-dienesulfonic acid IUPAC Name: (5E)-6,10-dimethyl-1-phosphonoundeca-5,9-diene-1-sulfonic acid Traditional Name: (5E)-6,10-dimethyl-1-phosphono-undeca-5,9-diene-1-sulfonic acid Formula: C13H25O6PS MolecularWeight: 340.372761

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/C)C

InChI

InChI=1S/C13H25O6PS/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H,17,18,19)/b12-8+