3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-one dihydrochloride

Systemtic Name: 3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-one dihydrochloride Openeye Name: 3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-one dihydrochloride CAS Name: 3,6-bis(2-diethylaminoethylthio)-9-xanthenone dihydrochloride IUPAC Name: 3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-one dihydrochloride Traditional Name: 3,6-bis(2-diethylaminoethylthio)xanthone dihydrochloride Formula: C25H36Cl2N2O2S2 MolecularWeight: 531.60154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)SCCN(CC)CC.Cl.Cl

Isomeric SMILES

CCN(CC)CCSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)SCCN(CC)CC.Cl.Cl

InChI

InChI=1S/C25H34N2O2S2.2ClH/c1-5-26(6-2)13-15-30-19-9-11-21-23(17-19)29-24-18-20(10-12-22(24)25(21)28)31-16-14-27(7-3)8-4;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H