[2,3,5-trimethyl-4-oxidanyl-6-(12-oxidanyldodeca-5,10-diynyl)phenyl] hydrogen sulfate

Systemtic Name: [2,3,5-trimethyl-4-oxidanyl-6-(12-oxidanyldodeca-5,10-diynyl)phenyl] hydrogen sulfate Openeye Name: [4-hydroxy-2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-hydroxy-2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylphenyl] ester IUPAC Name: [4-hydroxy-2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylphenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-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=C(C(=C(C(=C1O)C)CCCCC#CCCCC#CCO)OS(=O)(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C)CCCCC#CCCCC#CCO)OS(=O)(=O)O)C

InChI

InChI=1S/C21H28O6S/c1-16-17(2)21(27-28(24,25)26)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22-23H,5,7-10,12,14-15H2,1-3H3,(H,24,25,26)