2-[2-(dimethylaminomethyl)-3-phenyl-propoxy]-5-methyl-benzenethiol; ethanedioic acid

Systemtic Name: 2-[2-(dimethylaminomethyl)-3-phenyl-propoxy]-5-methyl-benzenethiol; ethanedioic acid Openeye Name: 2-[2-benzyl-3-(dimethylamino)propoxy]-5-methyl-benzenethiol; oxalic acid CAS Name: 2-[2-(dimethylaminomethyl)-3-phenylpropoxy]-5-methylbenzenethiol; oxalic acid IUPAC Name: 2-[2-benzyl-3-(dimethylamino)propoxy]-5-methylbenzenethiol; oxalic acid Traditional Name: 2-[2-benzyl-3-(dimethylamino)propoxy]-5-methyl-benzenethiol; oxalic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CC2=CC=CC=C2)CN(C)C)S.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CC2=CC=CC=C2)CN(C)C)S.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NOS.C2H2O4/c1-15-9-10-18(19(22)11-15)21-14-17(13-20(2)3)12-16-7-5-4-6-8-16;3-1(4)2(5)6/h4-11,17,22H,12-14H2,1-3H3;(H,3,4)(H,5,6)