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

Systemtic Name: 5-(1,3-dithian-2-yl)-N-propyl-pent-2-yn-1-amine; ethanedioic acid Openeye Name: 5-(1,3-dithian-2-yl)-N-propyl-pent-2-yn-1-amine; oxalic acid CAS Name: 5-(1,3-dithian-2-yl)-N-propyl-2-pentyn-1-amine; oxalic acid IUPAC Name: 5-(1,3-dithian-2-yl)-N-propylpent-2-yn-1-amine; oxalic acid Traditional Name: 5-(1,3-dithian-2-yl)pent-2-ynyl-propyl-amine; oxalic acid Formula: C14H23NO4S2 MolecularWeight: 333.46672

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC#CCCC1SCCCS1.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNCC#CCCC1SCCCS1.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H21NS2.C2H2O4/c1-2-8-13-9-5-3-4-7-12-14-10-6-11-15-12;3-1(4)2(5)6/h12-13H,2,4,6-11H2,1H3;(H,3,4)(H,5,6)