ethanedioic acid; 2-(2-piperidin-1-ylethoxy)ethyl 2-chloranyl-9H-thioxanthene-9-carboxylate

Systemtic Name: ethanedioic acid; 2-(2-piperidin-1-ylethoxy)ethyl 2-chloranyl-9H-thioxanthene-9-carboxylate Openeye Name: oxalic acid; 2-[2-(1-piperidyl)ethoxy]ethyl 2-chloro-9H-thioxanthene-9-carboxylate CAS Name: 2-chloro-9H-thioxanthene-9-carboxylic acid 2-[2-(1-piperidinyl)ethoxy]ethyl ester; oxalic acid IUPAC Name: oxalic acid; 2-(2-piperidin-1-ylethoxy)ethyl 2-chloro-9H-thioxanthene-9-carboxylate Traditional Name: 2-chloro-9H-thioxanthene-9-carboxylic acid 2-(2-piperidinoethoxy)ethyl ester; oxalic acid Formula: C25H28ClNO7S MolecularWeight: 522.01032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOCCOC(=O)C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCOCCOC(=O)C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26ClNO3S.C2H2O4/c24-17-8-9-21-19(16-17)22(18-6-2-3-7-20(18)29-21)23(26)28-15-14-27-13-12-25-10-4-1-5-11-25;3-1(4)2(5)6/h2-3,6-9,16,22H,1,4-5,10-15H2;(H,3,4)(H,5,6)