3,6-bis[3-(diethylamino)-2-oxidanyl-propoxy]xanthen-9-one

Systemtic Name: 3,6-bis[3-(diethylamino)-2-oxidanyl-propoxy]xanthen-9-one Openeye Name: 3,6-bis[3-(diethylamino)-2-hydroxy-propoxy]xanthen-9-one CAS Name: 3,6-bis[3-(diethylamino)-2-hydroxypropoxy]-9-xanthenone IUPAC Name: 3,6-bis[3-(diethylamino)-2-hydroxypropoxy]xanthen-9-one Traditional Name: 3,6-bis[3-(diethylamino)-2-hydroxy-propoxy]xanthone Formula: C27H38N2O6 MolecularWeight: 486.60042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OCC(CN(CC)CC)O)O

Isomeric SMILES

CCN(CC)CC(COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OCC(CN(CC)CC)O)O

InChI

InChI=1S/C27H38N2O6/c1-5-28(6-2)15-19(30)17-33-21-9-11-23-25(13-21)35-26-14-22(10-12-24(26)27(23)32)34-18-20(31)16-29(7-3)8-4/h9-14,19-20,30-31H,5-8,15-18H2,1-4H3