5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid

C110H172O24S6 — CID 160916111

IUPAC5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid
SMILES[2H]C(CCCCCCCC)S(=O)(=O)Cc1ccccc1C(=O)O.[2H]C([2H])(C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)Cc1ccccc1C(=O)O.[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C)c1[2H].[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)CCCCCCCCC)c1[2H].[2H]c1ccc(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])c(C(=O)O)c1
InChIInChI=1S/C22H36O4S.3C18H28O4S.2C17H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-27(25,26)19-20-16-13-14-17-21(20)22(23)24;3*1-2-3-4-5-6-7-8-11-14-23(21,22)15-16-12-9-10-13-17(16)18(19)20;2*1-2-3-4-5-6-7-10-13-22(20,21)14-15-11-8-9-12-16(15)17(18)19/h13-14,16-17H,2-12,15,18-19H2,1H3,(H,23,24);3*9-10,12-13H,2-8,11,14-15H2,1H3,(H,19,20);2*8-9,11-12H,2-7,10,13-14H2,1H3,(H,18,19)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D,14D,15D2,16D,17D,18D2;2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D,11D2,12D,13D,14D2;1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,10D,11D2,14D2;2D2,3D2,4D2,5D2,6D2,7D2,8D2,11D2,14D2;8D,9D,11D,12D;13D
InChIKeySRKPQISBKQEIFD-RIOSVRSGSA-N
MW2171.57 g/mol
LogP27.42
Rot. Bonds76

About 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid

5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid (PubChem CID 160916111) has the molecular formula C110H172O24S6 and a molecular weight of 2171.57 g/mol. Its IUPAC name is 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid.

Molecular Properties

Compound Name5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid
PubChem CID160916111
Molecular FormulaC110H172O24S6
Molecular Weight2171.57 g/mol
Exact Mass2169.68
IUPAC Name5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid
SMILES[2H]C(CCCCCCCC)S(=O)(=O)Cc1ccccc1C(=O)O.[2H]C([2H])(C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)Cc1ccccc1C(=O)O.[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C)c1[2H].[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)CCCCCCCCC)c1[2H].[2H]c1ccc(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])c(C(=O)O)c1
InChIInChI=1S/C22H36O4S.3C18H28O4S.2C17H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-27(25,26)19-20-16-13-14-17-21(20)22(23)24;3*1-2-3-4-5-6-7-8-11-14-23(21,22)15-16-12-9-10-13-17(16)18(19)20;2*1-2-3-4-5-6-7-10-13-22(20,21)14-15-11-8-9-12-16(15)17(18)19/h13-14,16-17H,2-12,15,18-19H2,1H3,(H,23,24);3*9-10,12-13H,2-8,11,14-15H2,1H3,(H,19,20);2*8-9,11-12H,2-7,10,13-14H2,1H3,(H,18,19)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D,14D,15D2,16D,17D,18D2;2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D,11D2,12D,13D,14D2;1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,10D,11D2,14D2;2D2,3D2,4D2,5D2,6D2,7D2,8D2,11D2,14D2;8D,9D,11D,12D;13D
InChIKeySRKPQISBKQEIFD-RIOSVRSGSA-N
XLogP27.42
TPSA428.64 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds76
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002171.57
LogP ≤ 527.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid with MolForge

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Related Compounds

2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid
CID 158513981
2-(3-carboxypropylsulfonylmethyl)benzoic acid
CID 82178698
[2-(octylsulfonylmethyl)phenyl]methanol
CID 167543191
1-bromo-2-(nonylsulfonylmethyl)benzene
CID 167684475
decane;phthalic acid
CID 158763790
azane;2-octylbenzoic acid
CID 70171834
CID 159889030
CID 159889030
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
azane;2-butylbenzoic acid
CID 174819524
2-[2-[heptyl(methyl)amino]ethyl]benzoic acid
CID 104548671
docosane;2-hydroxybenzoic acid
CID 161423500
2-methyl-5-(pentylsulfonylmethyl)furan-3-carboxylic acid
CID 107746590

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid?
The IUPAC name of 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid (CID 160916111) is 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid.
What is the SMILES notation for 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid?
The canonical SMILES for 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid is [2H]C(CCCCCCCC)S(=O)(=O)Cc1ccccc1C(=O)O.[2H]C([2H])(C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)Cc1ccccc1C(=O)O.[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C)c1[2H].[2H]c1c([2H])c([2H])c(C(=O)O)c(CS(=O)(=O)CCCCCCCCC)c1[2H].[2H]c1ccc(CS(=O)(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])c(C(=O)O)c1.
What is the InChIKey of 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid?
The InChIKey is SRKPQISBKQEIFD-RIOSVRSGSA-N. The full InChI is InChI=1S/C22H36O4S.3C18H28O4S.2C17H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-27(25,26)19-20-16-13-14-17-21(20)22(23)24;3*1-2-3-4-5-6-7-8-11-14-23(21,22)15-16-12-9-10-13-17(16)18(19)20;2*1-2-3-4-5-6-7-10-13-22(20,21)14-15-11-8-9-12-16(15)17(18)19/h13-14,16-17H,2-12,15,18-19H2,1H3,(H,23,24);3*9-10,12-13H,2-8,11,14-15H2,1H3,(H,19,20);2*8-9,11-12H,2-7,10,13-14H2,1H3,(H,18,19)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D,14D,15D2,16D,17D,18D2;2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D,11D2,12D,13D,14D2;1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,10D,11D2,14D2;2D2,3D2,4D2,5D2,6D2,7D2,8D2,11D2,14D2;8D,9D,11D,12D;13D.
What are the key properties of 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid?
5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid has a molecular weight of 2171.57 g/mol, XLogP of 27.42, 76 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecylsulfonylmethyl)benzoic acid;2-(1-deuteriononylsulfonylmethyl)benzoic acid;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(nonylsulfonylmethyl)benzoic acid;2,3,4,5-tetradeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecadeuteriodecylsulfonylmethyl)benzoic acid is sourced from PubChem (CID 160916111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).