6-(diethylamino)-1-(1,3-dithian-2-yl)-1-phenyl-hex-4-yn-1-ol; ethanedioic acid

Systemtic Name: 6-(diethylamino)-1-(1,3-dithian-2-yl)-1-phenyl-hex-4-yn-1-ol; ethanedioic acid Openeye Name: 6-(diethylamino)-1-(1,3-dithian-2-yl)-1-phenyl-hex-4-yn-1-ol; oxalic acid CAS Name: 6-(diethylamino)-1-(1,3-dithian-2-yl)-1-phenyl-4-hexyn-1-ol; oxalic acid IUPAC Name: 6-(diethylamino)-1-(1,3-dithian-2-yl)-1-phenylhex-4-yn-1-ol; oxalic acid Traditional Name: 6-(diethylamino)-1-(1,3-dithian-2-yl)-1-phenyl-hex-4-yn-1-ol; oxalic acid Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCC(C1SCCCS1)(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCCC(C1SCCCS1)(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29NOS2.C2H2O4/c1-3-21(4-2)15-10-6-9-14-20(22,18-12-7-5-8-13-18)19-23-16-11-17-24-19;3-1(4)2(5)6/h5,7-8,12-13,19,22H,3-4,9,11,14-17H2,1-2H3;(H,3,4)(H,5,6)