(2,4,6-triethoxyphenyl) 2-[(3,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethanesulfonate

Systemtic Name: (2,4,6-triethoxyphenyl) 2-[(3,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethanesulfonate Openeye Name: (2,4,6-triethoxyphenyl) 2-[(3,4-dichlorophenyl)methylamino]-2-oxo-ethanesulfonate CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-2-oxoethanesulfonic acid (2,4,6-triethoxyphenyl) ester IUPAC Name: (2,4,6-triethoxyphenyl) 2-[(3,4-dichlorophenyl)methylamino]-2-oxoethanesulfonate Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-2-keto-ethanesulfonic acid (2,4,6-triethoxyphenyl) ester Formula: C21H25Cl2NO7S MolecularWeight: 506.3967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)OCC)OS(=O)(=O)CC(=O)NCC2=CC(=C(C=C2)Cl)Cl)OCC

Isomeric SMILES

CCOC1=CC(=C(C(=C1)OCC)OS(=O)(=O)CC(=O)NCC2=CC(=C(C=C2)Cl)Cl)OCC

InChI

InChI=1S/C21H25Cl2NO7S/c1-4-28-15-10-18(29-5-2)21(19(11-15)30-6-3)31-32(26,27)13-20(25)24-12-14-7-8-16(22)17(23)9-14/h7-11H,4-6,12-13H2,1-3H3,(H,24,25)