9-[2-[7-(diethylamino)hept-5-ynyl]-1,3-dithian-2-yl]xanthen-9-ol; ethanedioic acid

Systemtic Name: 9-[2-[7-(diethylamino)hept-5-ynyl]-1,3-dithian-2-yl]xanthen-9-ol; ethanedioic acid Openeye Name: 9-[2-[7-(diethylamino)hept-5-ynyl]-1,3-dithian-2-yl]xanthen-9-ol; oxalic acid CAS Name: 9-[2-[7-(diethylamino)hept-5-ynyl]-1,3-dithian-2-yl]-9-xanthenol; oxalic acid IUPAC Name: 9-[2-[7-(diethylamino)hept-5-ynyl]-1,3-dithian-2-yl]xanthen-9-ol; oxalic acid Traditional Name: 9-[2-[7-(diethylamino)hept-5-ynyl]-1,3-dithian-2-yl]xanthen-9-ol; oxalic acid Formula: C30H37NO6S2 MolecularWeight: 571.74788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCCCC1(SCCCS1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCCCCC1(SCCCS1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H35NO2S2.C2H2O4/c1-3-29(4-2)20-13-7-5-6-12-19-27(32-21-14-22-33-27)28(30)23-15-8-10-17-25(23)31-26-18-11-9-16-24(26)28;3-1(4)2(5)6/h8-11,15-18,30H,3-6,12,14,19-22H2,1-2H3;(H,3,4)(H,5,6)