3-[4-(dimethylamino)thiophen-3-yl]sulfanylphenol; ethanedioate

Systemtic Name: 3-[4-(dimethylamino)thiophen-3-yl]sulfanylphenol; ethanedioate Openeye Name: 3-[[4-(dimethylamino)-3-thienyl]sulfanyl]phenol; oxalate CAS Name: 3-[[4-(dimethylamino)-3-thiophenyl]thio]phenol; oxalate IUPAC Name: 3-[4-(dimethylamino)thiophen-3-yl]sulfanylphenol; oxalate Traditional Name: 3-[[4-(dimethylamino)-3-thienyl]thio]phenol; oxalate Formula: C26H26N2O6S4-2 MolecularWeight: 590.75444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CSC=C1SC2=CC=CC(=C2)O.CN(C)C1=CSC=C1SC2=CC=CC(=C2)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C)C1=CSC=C1SC2=CC=CC(=C2)O.CN(C)C1=CSC=C1SC2=CC=CC(=C2)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C12H13NOS2.C2H2O4/c2*1-13(2)11-7-15-8-12(11)16-10-5-3-4-9(14)6-10;3-1(4)2(5)6/h2*3-8,14H,1-2H3;(H,3,4)(H,5,6)/p-2