9-[(4-chlorophenyl)methyl]-3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-ol

Systemtic Name: 9-[(4-chlorophenyl)methyl]-3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-ol Openeye Name: 9-[(4-chlorophenyl)methyl]-3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-ol CAS Name: 9-[(4-chlorophenyl)methyl]-3,6-bis(2-diethylaminoethylthio)-9-xanthenol IUPAC Name: 9-[(4-chlorophenyl)methyl]-3,6-bis(2-diethylaminoethylsulfanyl)xanthen-9-ol Traditional Name: 9-(4-chlorobenzyl)-3,6-bis(2-diethylaminoethylthio)xanthen-9-ol Formula: C32H41ClN2O2S2 MolecularWeight: 585.26314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)SCCN(CC)CC)(CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCN(CC)CCSC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)SCCN(CC)CC)(CC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C32H41ClN2O2S2/c1-5-34(6-2)17-19-38-26-13-15-28-30(21-26)37-31-22-27(39-20-18-35(7-3)8-4)14-16-29(31)32(28,36)23-24-9-11-25(33)12-10-24/h9-16,21-22,36H,5-8,17-20,23H2,1-4H3