2,6-dimethoxy-4-[[(3-methylsulfanylphenyl)amino]methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[[(3-methylsulfanylphenyl)amino]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[(3-methylsulfanylanilino)methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[3-(methylthio)anilino]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[(3-methylsulfanylanilino)methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[3-(methylthio)anilino]methyl]phenol; oxalic acid Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNC2=CC(=CC=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CNC2=CC(=CC=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NO3S.C2H2O4/c1-19-14-7-11(8-15(20-2)16(14)18)10-17-12-5-4-6-13(9-12)21-3;3-1(4)2(5)6/h4-9,17-18H,10H2,1-3H3;(H,3,4)(H,5,6)