benzene-1,2-disulfonic acid; 2-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-N,N-dimethyl-ethanamine

Systemtic Name: benzene-1,2-disulfonic acid; 2-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-N,N-dimethyl-ethanamine Openeye Name: benzene-1,2-disulfonic acid; 2-[(4-chlorophenyl)-(2-pyridyl)methoxy]-N,N-dimethyl-ethanamine CAS Name: benzene-1,2-disulfonic acid; 2-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-N,N-dimethylethanamine IUPAC Name: benzene-1,2-disulfonic acid; 2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine Traditional Name: benzene-1,2-disulfonic acid; 2-[(4-chlorophenyl)-(2-pyridyl)methoxy]ethyl-dimethyl-amine Formula: C28H31ClN2O13S4 MolecularWeight: 767.26434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C1=CC=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O.C1=CC=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C1=CC=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O.C1=CC=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H19ClN2O.2C6H6O6S2/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;2*7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h3-10,16H,11-12H2,1-2H3;2*1-4H,(H,7,8,9)(H,10,11,12)