(E)-but-2-enedioate; phenylazanium; dichloride

Systemtic Name: (E)-but-2-enedioate; phenylazanium; dichloride Openeye Name: (E)-but-2-enedioate; phenylammonium; dichloride CAS Name: (E)-2-butenedioate; phenylammonium; dichloride IUPAC Name: (E)-but-2-enedioate; phenylazanium; dichloride Traditional Name: phenylammonium dichloride fumarate Formula: C16H18Cl2N2O4-2 MolecularWeight: 373.23112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH3+].C1=CC=C(C=C1)[NH3+].C(=CC(=O)[O-])C(=O)[O-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[NH3+].C1=CC=C(C=C1)[NH3+].C(=C/C(=O)[O-])\C(=O)[O-].[Cl-].[Cl-]

InChI

InChI=1S/2C6H7N.C4H4O4.2ClH/c2*7-6-4-2-1-3-5-6;5-3(6)1-2-4(7)8;;/h2*1-5H,7H2;1-2H,(H,5,6)(H,7,8);2*1H/p-2/b;;2-1+;;