1-phosphono-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1-sulfonic acid

Systemtic Name: 1-phosphono-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1-sulfonic acid Openeye Name: 1-phosphono-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1-sulfonic acid CAS Name: 1-phosphono-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-1-propanesulfonic acid IUPAC Name: 1-phosphono-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1-sulfonic acid Traditional Name: 1-phosphono-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1-sulfonic acid Formula: C18H33O7PS MolecularWeight: 424.489181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33O7PS/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-13-25-14-12-18(26(19,20)21)27(22,23)24/h7,9,11,18H,5-6,8,10,12-14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/b16-9+,17-11+