1-oxidanyl-6-[2-oxidanyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]xanthen-9-one hydrochloride

Systemtic Name: 1-oxidanyl-6-[2-oxidanyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]xanthen-9-one hydrochloride Openeye Name: 1-hydroxy-6-[2-hydroxy-3-(tetralin-2-ylamino)propoxy]xanthen-9-one hydrochloride CAS Name: 1-hydroxy-6-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-9-xanthenone hydrochloride IUPAC Name: 1-hydroxy-6-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]xanthen-9-one hydrochloride Traditional Name: 1-hydroxy-6-[2-hydroxy-3-(tetralin-2-ylamino)propoxy]xanthone hydrochloride Formula: C26H26ClNO5 MolecularWeight: 467.94134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CC1NCC(COC3=CC4=C(C=C3)C(=O)C5=C(O4)C=CC=C5O)O.Cl

Isomeric SMILES

C1CC2=CC=CC=C2CC1NCC(COC3=CC4=C(C=C3)C(=O)C5=C(O4)C=CC=C5O)O.Cl

InChI

InChI=1S/C26H25NO5.ClH/c28-19(14-27-18-9-8-16-4-1-2-5-17(16)12-18)15-31-20-10-11-21-24(13-20)32-23-7-3-6-22(29)25(23)26(21)30;/h1-7,10-11,13,18-19,27-29H,8-9,12,14-15H2;1H