(E)-but-2-enedioic acid; 4-(2-chloranylxanthen-9-ylidene)-1-methyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(2-chloranylxanthen-9-ylidene)-1-methyl-piperidine Openeye Name: 4-(2-chloroxanthen-9-ylidene)-1-methyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2-chloro-9-xanthenylidene)-1-methylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(2-chloroxanthen-9-ylidene)-1-methylpiperidine Traditional Name: 4-(2-chloroxanthen-9-ylidene)-1-methyl-piperidine; fumaric acid Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)CC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)CC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H18ClNO.C4H4O4/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+