diethyl-[2-[4-(hydroxymethyl)-9-oxidanyl-thioxanthen-1-ylidene]azaniumylethyl]azanium

Systemtic Name: diethyl-[2-[4-(hydroxymethyl)-9-oxidanyl-thioxanthen-1-ylidene]azaniumylethyl]azanium Openeye Name: diethyl-[2-[9-hydroxy-4-(hydroxymethyl)thioxanthen-1-ylidene]ammonioethyl]ammonium CAS Name: diethyl-[2-[[9-hydroxy-4-(hydroxymethyl)-1-thioxanthenylidene]ammonio]ethyl]ammonium IUPAC Name: diethyl-[2-[9-hydroxy-4-(hydroxymethyl)thioxanthen-1-ylidene]azaniumylethyl]azanium Traditional Name: diethyl-[2-(9-hydroxy-4-methylol-thioxanthen-1-ylidene)ammonioethyl]ammonium Formula: C20H26N2O2S+2 MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH+]=C1C=CC(=C2C1=C(C3=CC=CC=C3S2)O)CO

Isomeric SMILES

CC[NH+](CC)CC[NH+]=C1C=CC(=C2C1=C(C3=CC=CC=C3S2)O)CO

InChI

InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,23-24H,3-4,11-13H2,1-2H3/p+2