[1-(4-hydroxyphenyl)-1-oxidanyl-2-(4-oxidanyl-4-phenyl-piperidin-3-yl)propyl] methanesulfonate trihydrate

Systemtic Name: [1-(4-hydroxyphenyl)-1-oxidanyl-2-(4-oxidanyl-4-phenyl-piperidin-3-yl)propyl] methanesulfonate trihydrate Openeye Name: [1-hydroxy-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenyl-3-piperidyl)propyl] methanesulfonate trihydrate CAS Name: methanesulfonic acid [1-hydroxy-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenyl-3-piperidinyl)propyl] ester trihydrate IUPAC Name: [1-hydroxy-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-3-yl)propyl] methanesulfonate trihydrate Traditional Name: methanesulfonic acid [1-hydroxy-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenyl-3-piperidyl)propyl] ester trihydrate Formula: C21H33NO9S MolecularWeight: 475.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CNCCC1(C2=CC=CC=C2)O)C(C3=CC=C(C=C3)O)(O)OS(=O)(=O)C.O.O.O

Isomeric SMILES

CC(C1CNCCC1(C2=CC=CC=C2)O)C(C3=CC=C(C=C3)O)(O)OS(=O)(=O)C.O.O.O

InChI

InChI=1S/C21H27NO6S.3H2O/c1-15(19-14-22-13-12-20(19,24)16-6-4-3-5-7-16)21(25,28-29(2,26)27)17-8-10-18(23)11-9-17;;;/h3-11,15,19,22-25H,12-14H2,1-2H3;3*1H2