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

Systemtic Name: bis(azanyl)methylidene-[5-(3,4,5-trimethoxyphenyl)carbonyloxypentyl]azanium sulfate Openeye Name: diaminomethylene-[5-(3,4,5-trimethoxybenzoyl)oxypentyl]ammonium sulfate CAS Name: diaminomethylidene-[5-[oxo-(3,4,5-trimethoxyphenyl)methoxy]pentyl]ammonium sulfate IUPAC Name: diaminomethylidene-[5-(3,4,5-trimethoxybenzoyl)oxypentyl]azanium sulfate Traditional Name: diaminomethylene-[5-(3,4,5-trimethoxybenzoyl)oxypentyl]ammonium sulfate Formula: C32H52N6O14S MolecularWeight: 776.85208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H25N3O5.H2O4S/c2*1-21-12-9-11(10-13(22-2)14(12)23-3)15(20)24-8-6-4-5-7-19-16(17)18;1-5(2,3)4/h2*9-10H,4-8H2,1-3H3,(H4,17,18,19);(H2,1,2,3,4)