tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol

C110H155F9O21S5Si2 — CID 159432993

IUPACtert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol
SMILESCC(=O)COc1ccc(S)cc1C.CCCOc1ccc(SC[C@H](CC)CO)cc1C.CCCOc1ccc(SC[C@H](CC)CO[Si](C)(C)C(C)(C)C)cc1C.CCCOc1ccc(SC[C@H](CC)COc2ccc(C(F)(F)F)cc2)cc1C.CC[C@@H](CO)CO[Si](C)(C)C(C)(C)C.CC[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OC)c(C)c1.O=C=O.O=C=O.O=C=O.O=C=O.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H27F3O2S.C21H38O2SSi.C20H23F3O2S.C15H24O2S.C11H26O2Si.C10H12O2S.C7H5F3O.4CO2/c1-4-12-26-21-11-10-20(13-16(21)3)28-15-17(5-2)14-27-19-8-6-18(7-9-19)22(23,24)25;1-9-13-22-20-12-11-19(14-17(20)3)24-16-18(10-2)15-23-25(7,8)21(4,5)6;1-4-15(13-26-18-9-10-19(24-3)14(2)11-18)12-25-17-7-5-16(6-8-17)20(21,22)23;1-4-8-17-15-7-6-14(9-12(15)3)18-11-13(5-2)10-16;1-7-10(8-12)9-13-14(5,6)11(2,3)4;1-7-5-9(13)3-4-10(7)12-6-8(2)11;8-7(9,10)5-1-3-6(11)4-2-5;4*2-1-3/h6-11,13,17H,4-5,12,14-15H2,1-3H3;11-12,14,18H,9-10,13,15-16H2,1-8H3;5-11,15H,4,12-13H2,1-3H3;6-7,9,13,16H,4-5,8,10-11H2,1-3H3;10,12H,7-9H2,1-6H3;3-5,13H,6H2,1-2H3;1-4,11H;;;;/t17-;18-;15-;13-;10-;;;;;;/m11110....../s1
InChIKeyLRFIQNWKADHVAK-OHUMFXBRSA-N
MW2200.92 g/mol
LogP29.39
Rot. Bonds44

About tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol

tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol (PubChem CID 159432993) has the molecular formula C110H155F9O21S5Si2 and a molecular weight of 2200.92 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol
PubChem CID159432993
Molecular FormulaC110H155F9O21S5Si2
Molecular Weight2200.92 g/mol
Exact Mass2198.91
IUPAC Nametert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol
SMILESCC(=O)COc1ccc(S)cc1C.CCCOc1ccc(SC[C@H](CC)CO)cc1C.CCCOc1ccc(SC[C@H](CC)CO[Si](C)(C)C(C)(C)C)cc1C.CCCOc1ccc(SC[C@H](CC)COc2ccc(C(F)(F)F)cc2)cc1C.CC[C@@H](CO)CO[Si](C)(C)C(C)(C)C.CC[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OC)c(C)c1.O=C=O.O=C=O.O=C=O.O=C=O.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H27F3O2S.C21H38O2SSi.C20H23F3O2S.C15H24O2S.C11H26O2Si.C10H12O2S.C7H5F3O.4CO2/c1-4-12-26-21-11-10-20(13-16(21)3)28-15-17(5-2)14-27-19-8-6-18(7-9-19)22(23,24)25;1-9-13-22-20-12-11-19(14-17(20)3)24-16-18(10-2)15-23-25(7,8)21(4,5)6;1-4-15(13-26-18-9-10-19(24-3)14(2)11-18)12-25-17-7-5-16(6-8-17)20(21,22)23;1-4-8-17-15-7-6-14(9-12(15)3)18-11-13(5-2)10-16;1-7-10(8-12)9-13-14(5,6)11(2,3)4;1-7-5-9(13)3-4-10(7)12-6-8(2)11;8-7(9,10)5-1-3-6(11)4-2-5;4*2-1-3/h6-11,13,17H,4-5,12,14-15H2,1-3H3;11-12,14,18H,9-10,13,15-16H2,1-8H3;5-11,15H,4,12-13H2,1-3H3;6-7,9,13,16H,4-5,8,10-11H2,1-3H3;10,12H,7-9H2,1-6H3;3-5,13H,6H2,1-2H3;1-4,11H;;;;/t17-;18-;15-;13-;10-;;;;;;/m11110....../s1
InChIKeyLRFIQNWKADHVAK-OHUMFXBRSA-N
XLogP29.39
TPSA297.39 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.92
LogP ≤ 529.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol with MolForge

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Related Compounds

tris(carbon dioxide);ethyl 2-ethylpentanoate;2-ethylpentyl methanesulfonate;methane;1-methoxy-2-methyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]pentylsulfanyl]benzene;4-methylphenol;2-[(4-methylphenoxy)methyl]pentyl methanesulfonate;2-methyl-1-propoxy-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]pentylsulfanyl]benzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;oxolane;2-propylpropane-1,3-diol
CID 159434293
carbon dioxide;1-methoxy-2-methyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]butylsulfanyl]benzene
CID 159280522
tris(carbon dioxide);4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-1-methoxy-2-methylbenzene;4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methyl-1-propoxybenzene;methane;(2R)-1-(3-methyl-4-propoxyphenyl)sulfanyl-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;oxiran-2-ylmethanol;oxolane;4-(trifluoromethyl)phenol;2-[[4-(trifluoromethyl)phenoxy]methyl]oxirane
CID 159773681
tris(carbon dioxide);(2S)-2-(chloromethyl)oxirane;4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-1-methoxy-2-methylbenzene;4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methyl-1-propoxybenzene;(2R)-1-(3-methyl-4-propoxyphenyl)sulfanyl-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;oxolane;4-(trifluoromethyl)phenol;(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]oxirane
CID 161274877
2-[2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylphenoxy]acetic acid
CID 16726113
2-[4-[(2R)-2-(ethoxymethyl)-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetic acid
CID 162616262
carbon dioxide;4-[2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-1-methoxy-2-methylbenzene
CID 159554415
carbon dioxide;2-methyl-4-[2-phenylmethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-1-propoxybenzene
CID 161073545
carbon dioxide;4-[3,3-difluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]prop-2-enyl]sulfanyl-2-methyl-1-propoxybenzene
CID 159491499
2-[1-[4-(2-hydroperoxyethoxy)-3-methylphenyl]sulfanyl-3-[4-(trifluoromethyl)phenoxy]propan-2-yl]oxyacetic acid
CID 59001989
ethyl 2-[4-[(2S)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetate
CID 59001940
ethyl 2-[4-[2-(2-methoxy-2-oxoethoxy)-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetate
CID 59001936

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol?
The IUPAC name of tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol (CID 159432993) is tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol is CC(=O)COc1ccc(S)cc1C.CCCOc1ccc(SC[C@H](CC)CO)cc1C.CCCOc1ccc(SC[C@H](CC)CO[Si](C)(C)C(C)(C)C)cc1C.CCCOc1ccc(SC[C@H](CC)COc2ccc(C(F)(F)F)cc2)cc1C.CC[C@@H](CO)CO[Si](C)(C)C(C)(C)C.CC[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OC)c(C)c1.O=C=O.O=C=O.O=C=O.O=C=O.Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol?
The InChIKey is LRFIQNWKADHVAK-OHUMFXBRSA-N. The full InChI is InChI=1S/C22H27F3O2S.C21H38O2SSi.C20H23F3O2S.C15H24O2S.C11H26O2Si.C10H12O2S.C7H5F3O.4CO2/c1-4-12-26-21-11-10-20(13-16(21)3)28-15-17(5-2)14-27-19-8-6-18(7-9-19)22(23,24)25;1-9-13-22-20-12-11-19(14-17(20)3)24-16-18(10-2)15-23-25(7,8)21(4,5)6;1-4-15(13-26-18-9-10-19(24-3)14(2)11-18)12-25-17-7-5-16(6-8-17)20(21,22)23;1-4-8-17-15-7-6-14(9-12(15)3)18-11-13(5-2)10-16;1-7-10(8-12)9-13-14(5,6)11(2,3)4;1-7-5-9(13)3-4-10(7)12-6-8(2)11;8-7(9,10)5-1-3-6(11)4-2-5;4*2-1-3/h6-11,13,17H,4-5,12,14-15H2,1-3H3;11-12,14,18H,9-10,13,15-16H2,1-8H3;5-11,15H,4,12-13H2,1-3H3;6-7,9,13,16H,4-5,8,10-11H2,1-3H3;10,12H,7-9H2,1-6H3;3-5,13H,6H2,1-2H3;1-4,11H;;;;/t17-;18-;15-;13-;10-;;;;;;/m11110....../s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol?
tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol has a molecular weight of 2200.92 g/mol, XLogP of 29.39, 44 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butoxy]silane;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol;tetrakis(carbon dioxide);1-methoxy-2-methyl-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;(2R)-2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]butan-1-ol;2-methyl-1-propoxy-4-[(2R)-2-[[4-(trifluoromethyl)phenoxy]methyl]butyl]sulfanylbenzene;1-(2-methyl-4-sulfanylphenoxy)propan-2-one;4-(trifluoromethyl)phenol is sourced from PubChem (CID 159432993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).