1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid

C208H168O34S18 — CID 161100237

About 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid

1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid (PubChem CID 161100237) has the molecular formula C208H168O34S18 and a molecular weight of 3788.80 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid.

Molecular Properties

• Compound Name: 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid
• PubChem CID: 161100237
• Molecular Formula: C208H168O34S18
• Molecular Weight: 3788.80 g/mol
• Exact Mass: 3784.64
• IUPAC Name: 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid
• SMILES: COc1ccc(Oc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Sc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(Sc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C52H42O15S6.C52H42O14S7.C52H42O3S2.C52H42O2S3/c1-33-3-4-34(29-49(33)70-66-64-53)27-37-7-26-48(52(32-37)73(58,59)60)69-45-22-10-39(11-23-45)38-8-20-44(21-9-38)68-47-25-6-35(30-50(47)71-67-65-54)28-36-5-24-46(51(31-36)72(55,56)57)63-43-18-16-42(17-19-43)62-41-14-12-40(61-2)13-15-41;1-33-3-4-34(29-49(33)70-65-63-53)27-37-7-26-48(52(32-37)73(58,59)60)69-45-18-10-39(11-19-45)38-8-16-44(17-9-38)68-47-25-6-35(30-50(47)71-66-64-54)28-36-5-24-46(51(31-36)72(55,56)57)62-41-14-22-43(23-15-41)67-42-20-12-40(61-2)13-21-42;1-37-3-5-38(6-4-37)35-40-9-27-49(28-10-40)56-51-31-13-42(14-32-51)43-15-33-52(34-16-43)57-50-29-11-41(12-30-50)36-39-7-17-45(18-8-39)54-47-23-25-48(26-24-47)55-46-21-19-44(53-2)20-22-46;1-37-3-5-38(6-4-37)35-40-9-23-47(24-10-40)55-49-27-13-42(14-28-49)43-15-29-50(30-16-43)56-48-25-11-41(12-26-48)36-39-7-17-45(18-8-39)54-46-21-33-52(34-22-46)57-51-31-19-44(53-2)20-32-51/h2*3-26,29-32,53-54H,27-28H2,1-2H3,(H,55,56,57)(H,58,59,60);2*3-34H,35-36H2,1-2H3
• InChIKey: UIIBGNVTOGVWND-UHFFFAOYSA-N
• XLogP: 58.37
• TPSA: 464.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 72
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3788.80
LogP ≤ 5	58.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid?

The IUPAC name of 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid (CID 161100237) is 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid.

What is the SMILES notation for 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid?

The canonical SMILES for 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid is COc1ccc(Oc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Sc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(Sc2ccc(Oc3ccc(Cc4ccc(Sc5ccc(-c6ccc(Sc7ccc(Cc8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid?

The InChIKey is UIIBGNVTOGVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42O15S6.C52H42O14S7.C52H42O3S2.C52H42O2S3/c1-33-3-4-34(29-49(33)70-66-64-53)27-37-7-26-48(52(32-37)73(58,59)60)69-45-22-10-39(11-23-45)38-8-20-44(21-9-38)68-47-25-6-35(30-50(47)71-67-65-54)28-36-5-24-46(51(31-36)72(55,56)57)63-43-18-16-42(17-19-43)62-41-14-12-40(61-2)13-15-41;1-33-3-4-34(29-49(33)70-65-63-53)27-37-7-26-48(52(32-37)73(58,59)60)69-45-18-10-39(11-19-45)38-8-16-44(17-9-38)68-47-25-6-35(30-50(47)71-66-64-54)28-36-5-24-46(51(31-36)72(55,56)57)62-41-14-22-43(23-15-41)67-42-20-12-40(61-2)13-21-42;1-37-3-5-38(6-4-37)35-40-9-27-49(28-10-40)56-51-31-13-42(14-32-51)43-15-33-52(34-16-43)57-50-29-11-41(12-30-50)36-39-7-17-45(18-8-39)54-47-23-25-48(26-24-47)55-46-21-19-44(53-2)20-22-46;1-37-3-5-38(6-4-37)35-40-9-23-47(24-10-40)55-49-27-13-42(14-28-49)43-15-29-50(30-16-43)56-48-25-11-41(12-26-48)36-39-7-17-45(18-8-39)54-46-21-33-52(34-22-46)57-51-31-19-44(53-2)20-32-51/h2*3-26,29-32,53-54H,27-28H2,1-2H3,(H,55,56,57)(H,58,59,60);2*3-34H,35-36H2,1-2H3.

What are the key properties of 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid?

1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid has a molecular weight of 3788.80 g/mol, XLogP of 58.37, 72 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid is sourced from PubChem (CID 161100237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).