1-[9-[3-(dimethylamino)propyl]thioxanthen-9-yl]propan-1-one; ethanedioic acid

Systemtic Name: 1-[9-[3-(dimethylamino)propyl]thioxanthen-9-yl]propan-1-one; ethanedioic acid Openeye Name: 1-[9-[3-(dimethylamino)propyl]thioxanthen-9-yl]propan-1-one; oxalic acid CAS Name: 1-[9-[3-(dimethylamino)propyl]-9-thioxanthenyl]-1-propanone; oxalic acid IUPAC Name: 1-[9-[3-(dimethylamino)propyl]thioxanthen-9-yl]propan-1-one; oxalic acid Traditional Name: 1-[9-[3-(dimethylamino)propyl]thioxanthen-9-yl]propan-1-one; oxalic acid Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NOS.C2H2O4/c1-4-20(23)21(14-9-15-22(2)3)16-10-5-7-12-18(16)24-19-13-8-6-11-17(19)21;3-1(4)2(5)6/h5-8,10-13H,4,9,14-15H2,1-3H3;(H,3,4)(H,5,6)