N-[5-(1,3-dithian-2-yl)pent-2-ynyl]-5-phenyl-pentan-1-amine; ethanedioic acid

Systemtic Name: N-[5-(1,3-dithian-2-yl)pent-2-ynyl]-5-phenyl-pentan-1-amine; ethanedioic acid Openeye Name: N-[5-(1,3-dithian-2-yl)pent-2-ynyl]-5-phenyl-pentan-1-amine; oxalic acid CAS Name: N-[5-(1,3-dithian-2-yl)pent-2-ynyl]-5-phenyl-1-pentanamine; oxalic acid IUPAC Name: N-[5-(1,3-dithian-2-yl)pent-2-ynyl]-5-phenylpentan-1-amine; oxalic acid Traditional Name: 5-(1,3-dithian-2-yl)pent-2-ynyl-(5-phenylpentyl)amine; oxalic acid Formula: C22H31NO4S2 MolecularWeight: 437.61584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)CCC#CCNCCCCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSC(SC1)CCC#CCNCCCCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29NS2.C2H2O4/c1-4-11-19(12-5-1)13-6-2-8-15-21-16-9-3-7-14-20-22-17-10-18-23-20;3-1(4)2(5)6/h1,4-5,11-12,20-21H,2,6-8,10,13-18H2;(H,3,4)(H,5,6)