[8,9-bis[3-(dimethylamino)propyl]-7-(hydroxymethyl)-9H-thioxanthen-1-yl]methanol

Systemtic Name: [8,9-bis[3-(dimethylamino)propyl]-7-(hydroxymethyl)-9H-thioxanthen-1-yl]methanol Openeye Name: [8,9-bis[3-(dimethylamino)propyl]-7-(hydroxymethyl)-9H-thioxanthen-1-yl]methanol CAS Name: [8,9-bis[3-(dimethylamino)propyl]-7-(hydroxymethyl)-9H-thioxanthen-1-yl]methanol IUPAC Name: [8,9-bis[3-(dimethylamino)propyl]-7-(hydroxymethyl)-9H-thioxanthen-1-yl]methanol Traditional Name: [8,9-bis[3-(dimethylamino)propyl]-7-methylol-9H-thioxanthen-1-yl]methanol Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1C2=C(C=CC=C2SC3=C1C(=C(C=C3)CO)CCCN(C)C)CO

Isomeric SMILES

CN(C)CCCC1C2=C(C=CC=C2SC3=C1C(=C(C=C3)CO)CCCN(C)C)CO

InChI

InChI=1S/C25H36N2O2S/c1-26(2)14-6-9-20-18(16-28)12-13-23-25(20)21(10-7-15-27(3)4)24-19(17-29)8-5-11-22(24)30-23/h5,8,11-13,21,28-29H,6-7,9-10,14-17H2,1-4H3