(4E,8E)-4,8-dimethyl-13-phosphono-13-sulfo-trideca-4,8-dienoic acid

Systemtic Name: (4E,8E)-4,8-dimethyl-13-phosphono-13-sulfo-trideca-4,8-dienoic acid Openeye Name: (4E,8E)-4,8-dimethyl-13-phosphono-13-sulfo-trideca-4,8-dienoic acid CAS Name: (4E,8E)-4,8-dimethyl-13-phosphono-13-sulfotrideca-4,8-dienoic acid IUPAC Name: (4E,8E)-4,8-dimethyl-13-phosphono-13-sulfotrideca-4,8-dienoic acid Traditional Name: (4E,8E)-4,8-dimethyl-13-phosphono-13-sulfo-trideca-4,8-dienoic acid Formula: C15H27O8PS MolecularWeight: 398.408841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27O8PS/c1-12(7-5-8-13(2)10-11-14(16)17)6-3-4-9-15(24(18,19)20)25(21,22)23/h6,8,15H,3-5,7,9-11H2,1-2H3,(H,16,17)(H2,18,19,20)(H,21,22,23)/b12-6+,13-8+