diphenyl-[2-[5-(3-phenylpropylamino)pent-3-ynyl]-1,3-dithian-2-yl]methanol; ethanedioic acid

Systemtic Name: diphenyl-[2-[5-(3-phenylpropylamino)pent-3-ynyl]-1,3-dithian-2-yl]methanol; ethanedioic acid Openeye Name: diphenyl-[2-[5-(3-phenylpropylamino)pent-3-ynyl]-1,3-dithian-2-yl]methanol; oxalic acid CAS Name: diphenyl-[2-[5-(3-phenylpropylamino)pent-3-ynyl]-1,3-dithian-2-yl]methanol; oxalic acid IUPAC Name: diphenyl-[2-[5-(3-phenylpropylamino)pent-3-ynyl]-1,3-dithian-2-yl]methanol; oxalic acid Traditional Name: diphenyl-[2-[5-(3-phenylpropylamino)pent-3-ynyl]-1,3-dithian-2-yl]methanol; oxalic acid Formula: C33H37NO5S2 MolecularWeight: 591.78058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CCC#CCNCCCC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSC(SC1)(CCC#CCNCCCC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H35NOS2.C2H2O4/c33-31(28-18-7-2-8-19-28,29-20-9-3-10-21-29)30(34-25-14-26-35-30)22-11-4-12-23-32-24-13-17-27-15-5-1-6-16-27;3-1(4)2(5)6/h1-3,5-10,15-16,18-21,32-33H,11,13-14,17,22-26H2;(H,3,4)(H,5,6)