(E)-but-2-enedioic acid; 2-(1,3-dithian-2-ylidene)-N,N-dimethyl-2-phenyl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(1,3-dithian-2-ylidene)-N,N-dimethyl-2-phenyl-ethanamine Openeye Name: 2-(1,3-dithian-2-ylidene)-N,N-dimethyl-2-phenyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(1,3-dithian-2-ylidene)-N,N-dimethyl-2-phenylethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(1,3-dithian-2-ylidene)-N,N-dimethyl-2-phenylethanamine Traditional Name: [2-(1,3-dithian-2-ylidene)-2-phenyl-ethyl]-dimethyl-amine; fumaric acid Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=C1SCCCS1)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC(=C1SCCCS1)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H19NS2.C4H4O4/c1-15(2)11-13(12-7-4-3-5-8-12)14-16-9-6-10-17-14;5-3(6)1-2-4(7)8/h3-5,7-8H,6,9-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+