5-(1,3-dithian-2-yl)-N-(4-phenylbutyl)pent-2-yn-1-amine; ethanedioic acid

Systemtic Name: 5-(1,3-dithian-2-yl)-N-(4-phenylbutyl)pent-2-yn-1-amine; ethanedioic acid Openeye Name: 5-(1,3-dithian-2-yl)-N-(4-phenylbutyl)pent-2-yn-1-amine; oxalic acid CAS Name: 5-(1,3-dithian-2-yl)-N-(4-phenylbutyl)-2-pentyn-1-amine; oxalic acid IUPAC Name: 5-(1,3-dithian-2-yl)-N-(4-phenylbutyl)pent-2-yn-1-amine; oxalic acid Traditional Name: 5-(1,3-dithian-2-yl)pent-2-ynyl-(4-phenylbutyl)amine; oxalic acid Formula: C21H29NO4S2 MolecularWeight: 423.58926

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)CCC#CCNCCCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSC(SC1)CCC#CCNCCCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27NS2.C2H2O4/c1-3-10-18(11-4-1)12-6-8-15-20-14-7-2-5-13-19-21-16-9-17-22-19;3-1(4)2(5)6/h1,3-4,10-11,19-20H,5-6,8-9,12-17H2;(H,3,4)(H,5,6)