9-[2-[6-[ethyl(propan-2-yl)amino]hex-4-ynyl]-1,3-dithian-2-yl]xanthen-9-ol

Systemtic Name: 9-[2-[6-[ethyl(propan-2-yl)amino]hex-4-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Openeye Name: 9-[2-[6-[ethyl(isopropyl)amino]hex-4-ynyl]-1,3-dithian-2-yl]xanthen-9-ol CAS Name: 9-[2-[6-[ethyl(propan-2-yl)amino]hex-4-ynyl]-1,3-dithian-2-yl]-9-xanthenol IUPAC Name: 9-[2-[6-[ethyl(propan-2-yl)amino]hex-4-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Traditional Name: 9-[2-[6-[ethyl(isopropyl)amino]hex-4-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Formula: C28H35NO2S2 MolecularWeight: 481.713

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#CCCCC1(SCCCS1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O)C(C)C

Isomeric SMILES

CCN(CC#CCCCC1(SCCCS1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O)C(C)C

InChI

InChI=1S/C28H35NO2S2/c1-4-29(22(2)3)19-12-6-5-11-18-27(32-20-13-21-33-27)28(30)23-14-7-9-16-25(23)31-26-17-10-8-15-24(26)28/h7-10,14-17,22,30H,4-5,11,13,18-21H2,1-3H3