bis(azanyl)methylidene-[6-(3,4,5-trimethoxyphenyl)carbonyloxyhexyl]azanium sulfate

Systemtic Name: bis(azanyl)methylidene-[6-(3,4,5-trimethoxyphenyl)carbonyloxyhexyl]azanium sulfate Openeye Name: diaminomethylene-[6-(3,4,5-trimethoxybenzoyl)oxyhexyl]ammonium sulfate CAS Name: diaminomethylidene-[6-[oxo-(3,4,5-trimethoxyphenyl)methoxy]hexyl]ammonium sulfate IUPAC Name: diaminomethylidene-[6-(3,4,5-trimethoxybenzoyl)oxyhexyl]azanium sulfate Traditional Name: diaminomethylene-[6-(3,4,5-trimethoxybenzoyl)oxyhexyl]ammonium sulfate Formula: C34H56N6O14S MolecularWeight: 804.90524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCC[NH+]=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCC[NH+]=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCC[NH+]=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCC[NH+]=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C17H27N3O5.H2O4S/c2*1-22-13-10-12(11-14(23-2)15(13)24-3)16(21)25-9-7-5-4-6-8-20-17(18)19;1-5(2,3)4/h2*10-11H,4-9H2,1-3H3,(H4,18,19,20);(H2,1,2,3,4)