6-(1,3-dithian-2-yl)-N-phenethyl-hex-2-yn-1-amine; ethanedioic acid

Systemtic Name: 6-(1,3-dithian-2-yl)-N-phenethyl-hex-2-yn-1-amine; ethanedioic acid Openeye Name: 6-(1,3-dithian-2-yl)-N-phenethyl-hex-2-yn-1-amine; oxalic acid CAS Name: 6-(1,3-dithian-2-yl)-N-phenethyl-2-hexyn-1-amine; oxalic acid IUPAC Name: 6-(1,3-dithian-2-yl)-N-phenethylhex-2-yn-1-amine; oxalic acid Traditional Name: 6-(1,3-dithian-2-yl)hex-2-ynyl-phenethyl-amine; oxalic acid Formula: C20H27NO4S2 MolecularWeight: 409.56268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)CCCC#CCNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSC(SC1)CCCC#CCNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NS2.C2H2O4/c1(6-11-18-20-15-8-16-21-18)2-7-13-19-14-12-17-9-4-3-5-10-17;3-1(4)2(5)6/h3-5,9-10,18-19H,1,6,8,11-16H2;(H,3,4)(H,5,6)