(5Z,9E)-6,10-dimethyl-12-phenyl-1-phosphono-dodeca-5,9-diene-1-sulfonic acid

Systemtic Name: (5Z,9E)-6,10-dimethyl-12-phenyl-1-phosphono-dodeca-5,9-diene-1-sulfonic acid Openeye Name: (5Z,9E)-6,10-dimethyl-12-phenyl-1-phosphono-dodeca-5,9-diene-1-sulfonic acid CAS Name: (5Z,9E)-6,10-dimethyl-12-phenyl-1-phosphono-1-dodeca-5,9-dienesulfonic acid IUPAC Name: (5Z,9E)-6,10-dimethyl-12-phenyl-1-phosphonododeca-5,9-diene-1-sulfonic acid Traditional Name: (5Z,9E)-6,10-dimethyl-12-phenyl-1-phosphono-dodeca-5,9-diene-1-sulfonic acid Formula: C20H31O6PS MolecularWeight: 430.495301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)CCC=C(C)CCC1=CC=CC=C1

Isomeric SMILES

C/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/CC/C=C(\C)/CCC1=CC=CC=C1

InChI

InChI=1S/C20H31O6PS/c1-17(9-6-7-14-20(27(21,22)23)28(24,25)26)10-8-11-18(2)15-16-19-12-4-3-5-13-19/h3-5,9,11-13,20H,6-8,10,14-16H2,1-2H3,(H2,21,22,23)(H,24,25,26)/b17-9-,18-11+