2,3-bis(oxidanyl)butanedioic acid; 1-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]pyrrolidine

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 1-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]pyrrolidine Openeye Name: 2,3-dihydroxybutanedioic acid; 1-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]pyrrolidine CAS Name: 2,3-dihydroxybutanedioic acid; 1-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]pyrrolidine IUPAC Name: 2,3-dihydroxybutanedioic acid; 1-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]pyrrolidine Traditional Name: 1-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]pyrrolidine; tartaric acid Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3C2CCCN4CCCC4.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3C2CCCN4CCCC4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C21H25NS.C4H6O6/c1-16-10-11-21-19(15-16)17(8-6-14-22-12-4-5-13-22)18-7-2-3-9-20(18)23-21;5-1(3(7)8)2(6)4(9)10/h2-3,7,9-11,15,17H,4-6,8,12-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)