3-[2,5-bis(chloranyl)phenoxy]-N-methyl-heptan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-[2,5-bis(chloranyl)phenoxy]-N-methyl-heptan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(2,5-dichlorophenoxy)-N-methyl-heptan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2,5-dichlorophenoxy)-N-methyl-1-heptanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2,5-dichlorophenoxy)-N-methylheptan-1-amine Traditional Name: 3-(2,5-dichlorophenoxy)heptyl-methyl-amine; fumaric acid Formula: C18H25Cl2NO5 MolecularWeight: 406.3008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCNC)OC1=C(C=CC(=C1)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCNC)OC1=C(C=CC(=C1)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21Cl2NO.C4H4O4/c1-3-4-5-12(8-9-17-2)18-14-10-11(15)6-7-13(14)16;5-3(6)1-2-4(7)8/h6-7,10,12,17H,3-5,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+