ethanedioate; 2-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-aniline; propane

Systemtic Name: ethanedioate; 2-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-aniline; propane Openeye Name: 2-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-aniline; oxalate; propane CAS Name: 2-[(4-methoxyphenyl)thio]-N,N-dimethylaniline; oxalate; propane IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-N,N-dimethylaniline; oxalate; propane Traditional Name: [2-[(4-methoxyphenyl)thio]phenyl]-dimethyl-amine; n-propane; oxalate Formula: C20H25NO5S-2 MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NOS.C3H8.C2H2O4/c1-16(2)14-6-4-5-7-15(14)18-13-10-8-12(17-3)9-11-13;1-3-2;3-1(4)2(5)6/h4-11H,1-3H3;3H2,1-2H3;(H,3,4)(H,5,6)/p-2