oxidanyl [2,3,5-trimethyl-6-(12-oxidanyldodeca-5,10-diynyl)phenyl] sulfate

Systemtic Name: oxidanyl [2,3,5-trimethyl-6-(12-oxidanyldodeca-5,10-diynyl)phenyl] sulfate Openeye Name: hydroxy [2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-phenyl] sulfate CAS Name: sulfuric acid hydroxy [2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylphenyl] ester IUPAC Name: hydroxy [2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylphenyl] sulfate Traditional Name: sulfuric acid hydroxy [2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-phenyl] ester Formula: C21H28O6S MolecularWeight: 408.50842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)OS(=O)(=O)OO)CCCCC#CCCCC#CCO)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)OS(=O)(=O)OO)CCCCC#CCCCC#CCO)C

InChI

InChI=1S/C21H28O6S/c1-17-16-18(2)20(21(19(17)3)26-28(24,25)27-23)14-12-10-8-6-4-5-7-9-11-13-15-22/h16,22-23H,5,7-10,12,14-15H2,1-3H3