pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)

C256H297Cu5K4Li8N44Na8O110S40-7 — CID 158164512

About pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)

pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate) (PubChem CID 158164512) has the molecular formula C256H297Cu5K4Li8N44Na8O110S40-7 and a molecular weight of 7746.64 g/mol. Its IUPAC name is pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate).

Molecular Properties

• Compound Name: pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)
• PubChem CID: 158164512
• Molecular Formula: C256H297Cu5K4Li8N44Na8O110S40-7
• Molecular Weight: 7746.64 g/mol
• Exact Mass: 7736.34
• IUPAC Name: pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)
• SMILES: CS(=O)(=O)CCCC(=O)[O-].CS(=O)(=O)CCCC(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)NCC(O)CS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)NCC(O)CS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].O=C(O)CS(=O)(=O)CCO.O=C(O)CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[H]N=S(=O)(CO)CS(=O)(=O)CCOC([C-]=O)S(=O)O.[H]N=S(=O)(CS(=O)O)CS(=O)(=O)CCOC=C(O)O.[K+].[K+].[K+].[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/5C32H16N8.2C7H17NO8S3.C6H13NO8S3.C6H12NO8S3.2C5H10O4S.6C4H10O5S2.2C4H8O5S.6C3H8O5S2.10CH3.5Cu.4K.8Li.8Na/c5*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;2*1-17(10,11)3-2-4-18(12,13)8-5-7(9)6-19(14,15)16;7-17(12,4-16(10)11)5-18(13,14)2-1-15-3-6(8)9;7-17(12,4-9)5-18(13,14)2-1-15-6(3-8)16(10)11;2*1-10(8,9)4-2-3-5(6)7;6*1-10(5,6)3-2-4-11(7,8)9;2*5-1-2-10(8,9)3-4(6)7;6*4-1-2-10(7,8)3-9(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*1-16H;2*7-9H,2-6H2,1H3,(H,14,15,16);3,7-9H,1-2,4-5H2,(H,10,11);6-7,9H,1-2,4-5H2,(H,10,11);2*2-4H2,1H3,(H,6,7);6*2-4H2,1H3,(H,7,8,9);2*5H,1-3H2,(H,6,7);6*4H,1-3H2,(H,5,6);10*1H3;;;;;;;;;;;;;;;;;;;;;;;;;/q5*-2;;;;-1;;;;;;;;;;;;;;;;;10*-1;5*+2;20*+1/p-16
• InChIKey: ROARUVKEXZKIFS-UHFFFAOYSA-A
• XLogP: -55.50
• TPSA: 2611.04 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 138
• Rotatable Bonds: 99
• Heavy Atoms: 475
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	7746.64
LogP ≤ 5	-55.50
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	138

Frequently Asked Questions

What is the IUPAC name of pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)?

The IUPAC name of pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate) (CID 158164512) is pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate).

What is the SMILES notation for pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)?

The canonical SMILES for pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate) is CS(=O)(=O)CCCC(=O)[O-].CS(=O)(=O)CCCC(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)NCC(O)CS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)NCC(O)CS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].CS(=O)(=O)CCCS(=O)(=O)[O-].O=C(O)CS(=O)(=O)CCO.O=C(O)CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.O=S([O-])CS(=O)(=O)CCO.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[H]N=S(=O)(CO)CS(=O)(=O)CCOC([C-]=O)S(=O)O.[H]N=S(=O)(CS(=O)O)CS(=O)(=O)CCOC=C(O)O.[K+].[K+].[K+].[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)?

The InChIKey is ROARUVKEXZKIFS-UHFFFAOYSA-A. The full InChI is InChI=1S/5C32H16N8.2C7H17NO8S3.C6H13NO8S3.C6H12NO8S3.2C5H10O4S.6C4H10O5S2.2C4H8O5S.6C3H8O5S2.10CH3.5Cu.4K.8Li.8Na/c5*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;2*1-17(10,11)3-2-4-18(12,13)8-5-7(9)6-19(14,15)16;7-17(12,4-16(10)11)5-18(13,14)2-1-15-3-6(8)9;7-17(12,4-9)5-18(13,14)2-1-15-6(3-8)16(10)11;2*1-10(8,9)4-2-3-5(6)7;6*1-10(5,6)3-2-4-11(7,8)9;2*5-1-2-10(8,9)3-4(6)7;6*4-1-2-10(7,8)3-9(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*1-16H;2*7-9H,2-6H2,1H3,(H,14,15,16);3,7-9H,1-2,4-5H2,(H,10,11);6-7,9H,1-2,4-5H2,(H,10,11);2*2-4H2,1H3,(H,6,7);6*2-4H2,1H3,(H,7,8,9);2*5H,1-3H2,(H,6,7);6*4H,1-3H2,(H,5,6);10*1H3;;;;;;;;;;;;;;;;;;;;;;;;;/q5*-2;;;;-1;;;;;;;;;;;;;;;;;10*-1;5*+2;20*+1/p-16.

What are the key properties of pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate)?

pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate) has a molecular weight of 7746.64 g/mol, XLogP of -55.50, 99 rotatable bonds, 21 hydrogen bond donors, and 138 hydrogen bond acceptors.

Where does this data come from?

All data for pentacopper;octalithium;tetrapotassium;octasodium;carbanide;[2-(2,2-dihydroxyethenoxy)ethylsulfonylmethylsulfonimidoyl]methanesulfinic acid;pentakis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(2-(2-hydroxyethylsulfonyl)acetic acid);hexakis(2-hydroxyethylsulfonylmethanesulfinate);1-[2-[(hydroxymethylsulfonimidoyl)methylsulfonyl]ethoxy]-2-oxoethanesulfinic acid;bis(2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate);bis(4-methylsulfonylbutanoate);hexakis(3-methylsulfonylpropane-1-sulfonate) is sourced from PubChem (CID 158164512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).