5,6-bis(chloranyl)-2,3-dihydro-1H-inden-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 5,6-bis(chloranyl)-2,3-dihydro-1H-inden-1-amine; (E)-but-2-enedioic acid Openeye Name: 5,6-dichloroindan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5,6-dichloro-2,3-dihydro-1H-inden-1-amine IUPAC Name: (E)-but-2-enedioic acid; 5,6-dichloro-2,3-dihydro-1H-inden-1-amine Traditional Name: (5,6-dichloroindan-1-yl)amine; fumaric acid Formula: C13H13Cl2NO4 MolecularWeight: 318.15262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1N)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC(=C(C=C2C1N)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H9Cl2N.C4H4O4/c10-7-3-5-1-2-9(12)6(5)4-8(7)11;5-3(6)1-2-4(7)8/h3-4,9H,1-2,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+