2-[[2,4-bis(azanyl)phenoxy]methyl]butane-1,4-diol sulfate

Systemtic Name: 2-[[2,4-bis(azanyl)phenoxy]methyl]butane-1,4-diol sulfate Openeye Name: 2-[(2,4-diaminophenoxy)methyl]butane-1,4-diol sulfate CAS Name: 2-[(2,4-diaminophenoxy)methyl]butane-1,4-diol sulfate IUPAC Name: 2-[(2,4-diaminophenoxy)methyl]butane-1,4-diol sulfate Traditional Name: 2-[(2,4-diaminophenoxy)methyl]butane-1,4-diol sulfate Formula: C11H18N2O7S-2 MolecularWeight: 322.33482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)N)OCC(CCO)CO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)N)OCC(CCO)CO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C11H18N2O3.H2O4S/c12-9-1-2-11(10(13)5-9)16-7-8(6-15)3-4-14;1-5(2,3)4/h1-2,5,8,14-15H,3-4,6-7,12-13H2;(H2,1,2,3,4)/p-2