ethanedioic acid; 4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,1-bis(oxidanylidene)thiolan-3-ol

Systemtic Name: ethanedioic acid; 4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,1-bis(oxidanylidene)thiolan-3-ol Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,1-dioxo-thiolan-3-ol; oxalic acid CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-1,1-dioxo-3-thiolanol; oxalic acid IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol; oxalic acid Traditional Name: 1,1-diketo-4-[4-(4-methoxyphenyl)piperazino]thiolan-3-ol; oxalic acid Formula: C17H24N2O8S MolecularWeight: 416.44606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CS(=O)(=O)CC3O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3CS(=O)(=O)CC3O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O4S.C2H2O4/c1-21-13-4-2-12(3-5-13)16-6-8-17(9-7-16)14-10-22(19,20)11-15(14)18;3-1(4)2(5)6/h2-5,14-15,18H,6-11H2,1H3;(H,3,4)(H,5,6)