2-[3-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-2-oxidanyl-propoxy]xanthen-9-one hydrochloride

Systemtic Name: 2-[3-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-2-oxidanyl-propoxy]xanthen-9-one hydrochloride Openeye Name: 2-[2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]propoxy]xanthen-9-one hydrochloride CAS Name: 2-[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propoxy]-9-xanthenone hydrochloride IUPAC Name: 2-[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propoxy]xanthen-9-one hydrochloride Traditional Name: 2-[2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]propoxy]xanthone hydrochloride Formula: C20H24ClNO5 MolecularWeight: 393.86126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NCC(COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)O.Cl

Isomeric SMILES

CC(C)(CO)NCC(COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)O.Cl

InChI

InChI=1S/C20H23NO5.ClH/c1-20(2,12-22)21-10-13(23)11-25-14-7-8-18-16(9-14)19(24)15-5-3-4-6-17(15)26-18;/h3-9,13,21-23H,10-12H2,1-2H3;1H