butyl-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]azanium sulfate

Systemtic Name: butyl-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]azanium sulfate Openeye Name: butyl-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]ammonium sulfate CAS Name: butyl-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]ammonium sulfate IUPAC Name: butyl-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium sulfate Traditional Name: butyl-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]ammonium sulfate Formula: C24H40N2O8S MolecularWeight: 516.648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(C1=CC=C(C=C1)O)O.CCCC[NH2+]CC(C1=CC=C(C=C1)O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH2+]CC(C1=CC=C(C=C1)O)O.CCCC[NH2+]CC(C1=CC=C(C=C1)O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C12H19NO2.H2O4S/c2*1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h2*4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)