2-[3-(tert-butylamino)-2-oxidanyl-propoxy]xanthen-9-one hydrochloride

Systemtic Name: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]xanthen-9-one hydrochloride Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]xanthen-9-one hydrochloride CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-9-xanthenone hydrochloride IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]xanthen-9-one hydrochloride Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]xanthone hydrochloride Formula: C20H24ClNO4 MolecularWeight: 377.86186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4.ClH/c1-20(2,3)21-11-13(22)12-24-14-8-9-18-16(10-14)19(23)15-6-4-5-7-17(15)25-18;/h4-10,13,21-22H,11-12H2,1-3H3;1H