ethanedioic acid; [4-[4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(4-hydroxy-1,1-dioxo-thiolan-3-yl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-(4-hydroxy-1,1-dioxo-3-thiolanyl)-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(4-hydroxy-1,1-dioxothiolan-3-yl)piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(4-hydroxy-1,1-diketo-thiolan-3-yl)piperazino]-phenyl-methanone; oxalic acid Formula: C17H22N2O8S MolecularWeight: 414.43018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CS(=O)(=O)CC2O)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C2CS(=O)(=O)CC2O)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20N2O4S.C2H2O4/c18-14-11-22(20,21)10-13(14)16-6-8-17(9-7-16)15(19)12-4-2-1-3-5-12;3-1(4)2(5)6/h1-5,13-14,18H,6-11H2;(H,3,4)(H,5,6)