3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride

C111H119O34P — CID 158903809

IUPAC3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride
SMILESC=CCC1(C(=O)OC)Oc2c(OC)cccc2C1=O.C=CCC1Oc2c(OC)cccc2C1=O.C=CCc1oc2c(O)cccc2c1CC(=O)OC.C=CCc1oc2c(O)cccc2c1CCO.C=CCc1oc2c(OC)cccc2c1CC(=O)OC.C=CCc1oc2c(OCC(=O)OC)cccc2c1CCO.C=CCc1oc2c(OCC(=O)OC)cccc2c1CCOP.COC(=O)C1Oc2c(OC)cccc2C1=O.[H][3H]
InChIInChI=1S/C16H19O5P.C16H18O5.C15H16O4.C14H14O5.C14H14O4.C13H14O3.C12H12O3.C11H10O5.H2/c1-3-5-13-11(8-9-20-22)12-6-4-7-14(16(12)21-13)19-10-15(17)18-2;1-3-5-13-11(8-9-17)12-6-4-7-14(16(12)21-13)20-10-15(18)19-2;1-4-6-12-11(9-14(16)18-3)10-7-5-8-13(17-2)15(10)19-12;1-4-8-14(13(16)18-3)12(15)9-6-5-7-10(17-2)11(9)19-14;1-3-5-12-10(8-13(16)17-2)9-6-4-7-11(15)14(9)18-12;1-2-4-12-9(7-8-14)10-5-3-6-11(15)13(10)16-12;1-3-5-9-11(13)8-6-4-7-10(14-2)12(8)15-9;1-14-7-5-3-4-6-8(12)10(11(13)15-2)16-9(6)7;/h3-4,6-7H,1,5,8-10,22H2,2H3;3-4,6-7,17H,1,5,8-10H2,2H3;4-5,7-8H,1,6,9H2,2-3H3;4-7H,1,8H2,2-3H3;3-4,6-7,15H,1,5,8H2,2H3;2-3,5-6,14-15H,1,4,7-8H2;3-4,6-7,9H,1,5H2,2H3;3-5,10H,1-2H3;1H/i;;;;;;;;1+2
InChIKeyJFTYHYHNAHRTEB-JLGFWVMKSA-N
MW2030.12 g/mol
LogP18.21
Rot. Bonds37

About 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride

3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride (PubChem CID 158903809) has the molecular formula C111H119O34P and a molecular weight of 2030.12 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride
PubChem CID158903809
Molecular FormulaC111H119O34P
Molecular Weight2030.12 g/mol
Exact Mass2028.74
IUPAC Name3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride
SMILESC=CCC1(C(=O)OC)Oc2c(OC)cccc2C1=O.C=CCC1Oc2c(OC)cccc2C1=O.C=CCc1oc2c(O)cccc2c1CC(=O)OC.C=CCc1oc2c(O)cccc2c1CCO.C=CCc1oc2c(OC)cccc2c1CC(=O)OC.C=CCc1oc2c(OCC(=O)OC)cccc2c1CCO.C=CCc1oc2c(OCC(=O)OC)cccc2c1CCOP.COC(=O)C1Oc2c(OC)cccc2C1=O.[H][3H]
InChIInChI=1S/C16H19O5P.C16H18O5.C15H16O4.C14H14O5.C14H14O4.C13H14O3.C12H12O3.C11H10O5.H2/c1-3-5-13-11(8-9-20-22)12-6-4-7-14(16(12)21-13)19-10-15(17)18-2;1-3-5-13-11(8-9-17)12-6-4-7-14(16(12)21-13)20-10-15(18)19-2;1-4-6-12-11(9-14(16)18-3)10-7-5-8-13(17-2)15(10)19-12;1-4-8-14(13(16)18-3)12(15)9-6-5-7-10(17-2)11(9)19-14;1-3-5-12-10(8-13(16)17-2)9-6-4-7-11(15)14(9)18-12;1-2-4-12-9(7-8-14)10-5-3-6-11(15)13(10)16-12;1-3-5-9-11(13)8-6-4-7-10(14-2)12(8)15-9;1-14-7-5-3-4-6-8(12)10(11(13)15-2)16-9(6)7;/h3-4,6-7H,1,5,8-10,22H2,2H3;3-4,6-7,17H,1,5,8-10H2,2H3;4-5,7-8H,1,6,9H2,2-3H3;4-7H,1,8H2,2-3H3;3-4,6-7,15H,1,5,8H2,2H3;2-3,5-6,14-15H,1,4,7-8H2;3-4,6-7,9H,1,5H2,2H3;3-5,10H,1-2H3;1H/i;;;;;;;;1+2
InChIKeyJFTYHYHNAHRTEB-JLGFWVMKSA-N
XLogP18.21
TPSA447.93 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002030.12
LogP ≤ 518.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride with MolForge

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Launch Full Analysis

Related Compounds

3-(3-hydroxypropyl)-2-methyl-1-benzofuran-7-ol;7-methoxy-2-methyl-1-benzofuran-3-one;3-(7-methoxy-2-methyl-1-benzofuran-3-yl)propan-1-ol;7-methoxy-2-methyl-3-prop-2-enyl-1-benzofuran;methyl 2-[(3-butyl-2-methyl-1-benzofuran-7-yl)oxy]acetate;methyl 2-[[3-(3-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-[[2-methyl-3-(3-methylsulfanylpropyl)-1-benzofuran-7-yl]oxy]acetate;2-[[2-methyl-3-(3-methylsulfanylpropyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 159699992
2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate
CID 18351638
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
methyl 7-methyl-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate
CID 11770720
methyl 2-[[3-(2-hydroxyethyl)-2-[(E)-prop-1-enyl]-1-benzofuran-7-yl]oxy]acetate
CID 11266259
3-(2-hydroxyethyl)-2-methyl-1-benzofuran-7-ol;methyl 2-[[3-(2-azidoethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91305588
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988
2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid;methyl 2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetate
CID 54205343
2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate
CID 18351809
methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate
CID 20708429
methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate
CID 86757618
actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide
CID 20708391

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride?
The IUPAC name of 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride (CID 158903809) is 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride?
The canonical SMILES for 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride is C=CCC1(C(=O)OC)Oc2c(OC)cccc2C1=O.C=CCC1Oc2c(OC)cccc2C1=O.C=CCc1oc2c(O)cccc2c1CC(=O)OC.C=CCc1oc2c(O)cccc2c1CCO.C=CCc1oc2c(OC)cccc2c1CC(=O)OC.C=CCc1oc2c(OCC(=O)OC)cccc2c1CCO.C=CCc1oc2c(OCC(=O)OC)cccc2c1CCOP.COC(=O)C1Oc2c(OC)cccc2C1=O.[H][3H].
What is the InChIKey of 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride?
The InChIKey is JFTYHYHNAHRTEB-JLGFWVMKSA-N. The full InChI is InChI=1S/C16H19O5P.C16H18O5.C15H16O4.C14H14O5.C14H14O4.C13H14O3.C12H12O3.C11H10O5.H2/c1-3-5-13-11(8-9-20-22)12-6-4-7-14(16(12)21-13)19-10-15(17)18-2;1-3-5-13-11(8-9-17)12-6-4-7-14(16(12)21-13)20-10-15(18)19-2;1-4-6-12-11(9-14(16)18-3)10-7-5-8-13(17-2)15(10)19-12;1-4-8-14(13(16)18-3)12(15)9-6-5-7-10(17-2)11(9)19-14;1-3-5-12-10(8-13(16)17-2)9-6-4-7-11(15)14(9)18-12;1-2-4-12-9(7-8-14)10-5-3-6-11(15)13(10)16-12;1-3-5-9-11(13)8-6-4-7-10(14-2)12(8)15-9;1-14-7-5-3-4-6-8(12)10(11(13)15-2)16-9(6)7;/h3-4,6-7H,1,5,8-10,22H2,2H3;3-4,6-7,17H,1,5,8-10H2,2H3;4-5,7-8H,1,6,9H2,2-3H3;4-7H,1,8H2,2-3H3;3-4,6-7,15H,1,5,8H2,2H3;2-3,5-6,14-15H,1,4,7-8H2;3-4,6-7,9H,1,5H2,2H3;3-5,10H,1-2H3;1H/i;;;;;;;;1+2.
What are the key properties of 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride?
3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride has a molecular weight of 2030.12 g/mol, XLogP of 18.21, 37 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride is sourced from PubChem (CID 158903809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).