N,N-diethyl-5-(2-phenyl-1,3-dithian-2-yl)pent-2-yn-1-amine; ethanedioic acid

Systemtic Name: N,N-diethyl-5-(2-phenyl-1,3-dithian-2-yl)pent-2-yn-1-amine; ethanedioic acid Openeye Name: N,N-diethyl-5-(2-phenyl-1,3-dithian-2-yl)pent-2-yn-1-amine; oxalic acid CAS Name: N,N-diethyl-5-(2-phenyl-1,3-dithian-2-yl)-2-pentyn-1-amine; oxalic acid IUPAC Name: N,N-diethyl-5-(2-phenyl-1,3-dithian-2-yl)pent-2-yn-1-amine; oxalic acid Traditional Name: diethyl-[5-(2-phenyl-1,3-dithian-2-yl)pent-2-ynyl]amine; oxalic acid Formula: C21H29NO4S2 MolecularWeight: 423.58926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCC1(SCCCS1)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCCC1(SCCCS1)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27NS2.C2H2O4/c1-3-20(4-2)15-10-6-9-14-19(21-16-11-17-22-19)18-12-7-5-8-13-18;3-1(4)2(5)6/h5,7-8,12-13H,3-4,9,11,14-17H2,1-2H3;(H,3,4)(H,5,6)