3-(2,4-dimethylphenyl)sulfanylpropan-1-amine; ethanedioic acid

Systemtic Name: 3-(2,4-dimethylphenyl)sulfanylpropan-1-amine; ethanedioic acid Openeye Name: 3-(2,4-dimethylphenyl)sulfanylpropan-1-amine; oxalic acid CAS Name: 3-[(2,4-dimethylphenyl)thio]-1-propanamine; oxalic acid IUPAC Name: 3-(2,4-dimethylphenyl)sulfanylpropan-1-amine; oxalic acid Traditional Name: 3-[(2,4-dimethylphenyl)thio]propylamine; oxalic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCCN)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCCCN)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H17NS.C2H2O4/c1-9-4-5-11(10(2)8-9)13-7-3-6-12;3-1(4)2(5)6/h4-5,8H,3,6-7,12H2,1-2H3;(H,3,4)(H,5,6)