2-(hydroxymethyl)-4-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol sulfate

Systemtic Name: 2-(hydroxymethyl)-4-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol sulfate Openeye Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol sulfate CAS Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol sulfate IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol sulfate Traditional Name: 4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylol-phenol sulfate Formula: C25H37NO8S-2 MolecularWeight: 511.62818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C25H37NO4.H2O4S/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;1-5(2,3)4/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;(H2,1,2,3,4)/p-2