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

Systemtic Name: 1-(1,3-dithian-2-yl)-1-phenyl-6-(3-phenylpropylamino)hex-4-yn-1-ol; ethanedioic acid Openeye Name: 1-(1,3-dithian-2-yl)-1-phenyl-6-(3-phenylpropylamino)hex-4-yn-1-ol; oxalic acid CAS Name: 1-(1,3-dithian-2-yl)-1-phenyl-6-(3-phenylpropylamino)-4-hexyn-1-ol; oxalic acid IUPAC Name: 1-(1,3-dithian-2-yl)-1-phenyl-6-(3-phenylpropylamino)hex-4-yn-1-ol; oxalic acid Traditional Name: 1-(1,3-dithian-2-yl)-1-phenyl-6-(3-phenylpropylamino)hex-4-yn-1-ol; oxalic acid Formula: C27H33NO5S2 MolecularWeight: 515.68462

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C(CCC#CCNCCCC2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSC(SC1)C(CCC#CCNCCCC2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31NOS2.C2H2O4/c27-25(23-15-6-2-7-16-23,24-28-20-11-21-29-24)17-8-3-9-18-26-19-10-14-22-12-4-1-5-13-22;3-1(4)2(5)6/h1-2,4-7,12-13,15-16,24,26-27H,8,10-11,14,17-21H2;(H,3,4)(H,5,6)