(5E,9E)-6,10,14-trimethyl-4-oxidanyl-1-phosphono-pentadeca-5,9,13-triene-1-sulfonic acid

Systemtic Name: (5E,9E)-6,10,14-trimethyl-4-oxidanyl-1-phosphono-pentadeca-5,9,13-triene-1-sulfonic acid Openeye Name: (5E,9E)-4-hydroxy-6,10,14-trimethyl-1-phosphono-pentadeca-5,9,13-triene-1-sulfonic acid CAS Name: (5E,9E)-4-hydroxy-6,10,14-trimethyl-1-phosphono-1-pentadeca-5,9,13-trienesulfonic acid IUPAC Name: (5E,9E)-4-hydroxy-6,10,14-trimethyl-1-phosphonopentadeca-5,9,13-triene-1-sulfonic acid Traditional Name: (5E,9E)-4-hydroxy-6,10,14-trimethyl-1-phosphono-pentadeca-5,9,13-triene-1-sulfonic acid Formula: C18H33O7PS MolecularWeight: 424.489181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33O7PS/c1-14(2)7-5-8-15(3)9-6-10-16(4)13-17(19)11-12-18(26(20,21)22)27(23,24)25/h7,9,13,17-19H,5-6,8,10-12H2,1-4H3,(H2,20,21,22)(H,23,24,25)/b15-9+,16-13+