bis(2-dimethylaminoethyl) 2-(4-chloranylphenoxy)butanedioate; ethanedioic acid

Systemtic Name: bis(2-dimethylaminoethyl) 2-(4-chloranylphenoxy)butanedioate; ethanedioic acid Openeye Name: bis(2-dimethylaminoethyl) 2-(4-chlorophenoxy)butanedioate; oxalic acid CAS Name: 2-(4-chlorophenoxy)butanedioic acid bis(2-dimethylaminoethyl) ester; oxalic acid IUPAC Name: bis(2-dimethylaminoethyl) 2-(4-chlorophenoxy)butanedioate; oxalic acid Traditional Name: 2-(4-chlorophenoxy)succinic acid bis(2-dimethylaminoethyl) ester; oxalic acid Formula: C22H31ClN2O13 MolecularWeight: 566.94014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)CC(C(=O)OCCN(C)C)OC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCOC(=O)CC(C(=O)OCCN(C)C)OC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27ClN2O5.2C2H2O4/c1-20(2)9-11-24-17(22)13-16(18(23)25-12-10-21(3)4)26-15-7-5-14(19)6-8-15;2*3-1(4)2(5)6/h5-8,16H,9-13H2,1-4H3;2*(H,3,4)(H,5,6)