9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)

C142H116F6O22S10 — CID 161316464

About 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)

9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium) (PubChem CID 161316464) has the molecular formula C142H116F6O22S10 and a molecular weight of 2609.13 g/mol. Its IUPAC name is 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium).

Molecular Properties

• Compound Name: 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)
• PubChem CID: 161316464
• Molecular Formula: C142H116F6O22S10
• Molecular Weight: 2609.13 g/mol
• Exact Mass: 2606.51
• IUPAC Name: 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)
• SMILES: CCOc1c2ccccc2c(OCC)c2cc(SOO[O-])ccc12.COc1c2ccccc2c(OC)c2cc(SOO[O-])ccc12.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1c2ccccc2C(=O)c2cc(SOO[O-])ccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C19H17OS.C19H17S.C18H18O5S.3C18H15S.C16H14O5S.C14H8O5S.2CHF3O3S/c1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-3-20-17-13-7-5-6-8-14(13)18(21-4-2)16-11-12(24-23-22-19)9-10-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18-15-11-5-3-4-6-12(11)16(19-2)14-9-10(22-21-20-17)7-8-13(14)15;15-13-9-3-1-2-4-10(9)14(16)12-7-8(20-19-18-17)5-6-11(12)13;2*2-1(3,4)8(5,6)7/h2-15H,1H3;2-15H,1H3;5-11,19H,3-4H2,1-2H3;3*1-15H;3-9,17H,1-2H3;1-7,17H;2*(H,5,6,7)/q2*+1;;3*+1;;;;/p-5
• InChIKey: VJOHVIJWOFNPEV-UHFFFAOYSA-I
• XLogP: 33.28
• TPSA: 319.25 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.13
LogP ≤ 5	33.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)?

The IUPAC name of 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium) (CID 161316464) is 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium).

What is the SMILES notation for 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)?

The canonical SMILES for 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium) is CCOc1c2ccccc2c(OCC)c2cc(SOO[O-])ccc12.COc1c2ccccc2c(OC)c2cc(SOO[O-])ccc12.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1c2ccccc2C(=O)c2cc(SOO[O-])ccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)?

The InChIKey is VJOHVIJWOFNPEV-UHFFFAOYSA-I. The full InChI is InChI=1S/C19H17OS.C19H17S.C18H18O5S.3C18H15S.C16H14O5S.C14H8O5S.2CHF3O3S/c1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-3-20-17-13-7-5-6-8-14(13)18(21-4-2)16-11-12(24-23-22-19)9-10-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18-15-11-5-3-4-6-12(11)16(19-2)14-9-10(22-21-20-17)7-8-13(14)15;15-13-9-3-1-2-4-10(9)14(16)12-7-8(20-19-18-17)5-6-11(12)13;2*2-1(3,4)8(5,6)7/h2-15H,1H3;2-15H,1H3;5-11,19H,3-4H2,1-2H3;3*1-15H;3-9,17H,1-2H3;1-7,17H;2*(H,5,6,7)/q2*+1;;3*+1;;;;/p-5.

What are the key properties of 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)?

9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium) has a molecular weight of 2609.13 g/mol, XLogP of 33.28, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium) is sourced from PubChem (CID 161316464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).