2-(3,4,5-trimethoxyphenyl)ethylazanium sulfate dihydrate

Systemtic Name: 2-(3,4,5-trimethoxyphenyl)ethylazanium sulfate dihydrate Openeye Name: 2-(3,4,5-trimethoxyphenyl)ethylammonium sulfate dihydrate CAS Name: 2-(3,4,5-trimethoxyphenyl)ethylammonium sulfate dihydrate IUPAC Name: 2-(3,4,5-trimethoxyphenyl)ethylazanium sulfate dihydrate Traditional Name: 2-(3,4,5-trimethoxyphenyl)ethylammonium sulfate dihydrate Formula: C22H40N2O12S MolecularWeight: 556.6242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC[NH3+].COC1=CC(=CC(=C1OC)OC)CC[NH3+].O.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC[NH3+].COC1=CC(=CC(=C1OC)OC)CC[NH3+].O.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H17NO3.H2O4S.2H2O/c2*1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3;1-5(2,3)4;;/h2*6-7H,4-5,12H2,1-3H3;(H2,1,2,3,4);2*1H2