bis(2-dimethylaminoethyl) (Z)-2-(4-chloranylphenoxy)but-2-enedioate; (E)-but-2-enedioic acid

Systemtic Name: bis(2-dimethylaminoethyl) (Z)-2-(4-chloranylphenoxy)but-2-enedioate; (E)-but-2-enedioic acid Openeye Name: bis(2-dimethylaminoethyl) (Z)-2-(4-chlorophenoxy)but-2-enedioate; fumaric acid CAS Name: (E)-2-butenedioic acid; (Z)-2-(4-chlorophenoxy)-2-butenedioic acid bis(2-dimethylaminoethyl) ester IUPAC Name: bis(2-dimethylaminoethyl) (Z)-2-(4-chlorophenoxy)but-2-enedioate; (E)-but-2-enedioic acid Traditional Name: (Z)-2-(4-chlorophenoxy)but-2-enedioic acid bis(2-dimethylaminoethyl) ester; fumaric acid Formula: C26H33ClN2O13 MolecularWeight: 616.99882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5.2C4H4O4/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*5-3(6)1-2-4(7)8/h5-8,13H,9-12H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b16-13-;2*2-1+