N'-[4-(4-chlorophenyl)sulfanylbutyl]ethane-1,2-diamine; ethanedioic acid

Systemtic Name: N'-[4-(4-chlorophenyl)sulfanylbutyl]ethane-1,2-diamine; ethanedioic acid Openeye Name: N'-[4-(4-chlorophenyl)sulfanylbutyl]ethane-1,2-diamine; oxalic acid CAS Name: N'-[4-[(4-chlorophenyl)thio]butyl]ethane-1,2-diamine; oxalic acid IUPAC Name: N'-[4-(4-chlorophenyl)sulfanylbutyl]ethane-1,2-diamine; oxalic acid Traditional Name: 2-aminoethyl-[4-[(4-chlorophenyl)thio]butyl]amine; oxalic acid Formula: C14H21ClN2O4S MolecularWeight: 348.84554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCCNCCN)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1SCCCCNCCN)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19ClN2S.C2H2O4/c13-11-3-5-12(6-4-11)16-10-2-1-8-15-9-7-14;3-1(4)2(5)6/h3-6,15H,1-2,7-10,14H2;(H,3,4)(H,5,6)