(Z)-but-2-enedioic acid; (9E)-7-chloranyl-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol

Systemtic Name: (Z)-but-2-enedioic acid; (9E)-7-chloranyl-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol Openeye Name: (9E)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol; maleic acid CAS Name: (Z)-2-butenedioic acid; (9E)-7-chloro-9-[3-(dimethylamino)propylidene]-2-thioxanthenol IUPAC Name: (Z)-but-2-enedioic acid; (9E)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol Traditional Name: (9E)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol; maleic acid Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC=C1C2=C(C=CC(=C2)O)SC3=C1C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC/C=C/1\C2=C(C=CC(=C2)O)SC3=C1C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18ClNOS.C4H4O4/c1-20(2)9-3-4-14-15-10-12(19)5-7-17(15)22-18-8-6-13(21)11-16(14)18;5-3(6)1-2-4(7)8/h4-8,10-11,21H,3,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b14-4-;2-1-