bis[4-(2,3-dimethylphenoxy)piperidin-3-yl] sulfate

Systemtic Name: bis[4-(2,3-dimethylphenoxy)piperidin-3-yl] sulfate Openeye Name: bis[4-(2,3-dimethylphenoxy)-3-piperidyl] sulfate CAS Name: sulfuric acid bis[4-(2,3-dimethylphenoxy)-3-piperidinyl] ester IUPAC Name: bis[4-(2,3-dimethylphenoxy)piperidin-3-yl] sulfate Traditional Name: sulfuric acid bis[4-(2,3-dimethylphenoxy)-3-piperidyl] ester Formula: C26H36N2O6S MolecularWeight: 504.63884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2CCNCC2OS(=O)(=O)OC3CNCCC3OC4=CC=CC(=C4C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2CCNCC2OS(=O)(=O)OC3CNCCC3OC4=CC=CC(=C4C)C)C

InChI

InChI=1S/C26H36N2O6S/c1-17-7-5-9-21(19(17)3)31-23-11-13-27-15-25(23)33-35(29,30)34-26-16-28-14-12-24(26)32-22-10-6-8-18(2)20(22)4/h5-10,23-28H,11-16H2,1-4H3