(E)-but-2-enedioic acid; 3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine Openeye Name: fumaric acid; 3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine CAS Name: (E)-2-butenedioic acid; 3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine Traditional Name: fumaric acid; 3-[2-(trifluoromethyl)phenothiazin-10-yl]propylamine Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H15F3N2S.C4H4O4/c17-16(18,19)11-6-7-15-13(10-11)21(9-3-8-20)12-4-1-2-5-14(12)22-15;5-3(6)1-2-4(7)8/h1-2,4-7,10H,3,8-9,20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+