3-[2-(dimethylaminomethyl)thiophen-3-yl]sulfanylphenol; ethanedioic acid

Systemtic Name: 3-[2-(dimethylaminomethyl)thiophen-3-yl]sulfanylphenol; ethanedioic acid Openeye Name: 3-[[2-(dimethylaminomethyl)-3-thienyl]sulfanyl]phenol; oxalic acid CAS Name: 3-[[2-(dimethylaminomethyl)-3-thiophenyl]thio]phenol; oxalic acid IUPAC Name: 3-[2-(dimethylaminomethyl)thiophen-3-yl]sulfanylphenol; oxalic acid Traditional Name: 3-[[2-(dimethylaminomethyl)-3-thienyl]thio]phenol; oxalic acid Formula: C28H32N2O6S4 MolecularWeight: 620.82348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)O.CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)O.CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C13H15NOS2.C2H2O4/c2*1-14(2)9-13-12(6-7-16-13)17-11-5-3-4-10(15)8-11;3-1(4)2(5)6/h2*3-8,15H,9H2,1-2H3;(H,3,4)(H,5,6)