P6S

benzyl hydrogen carbonate

Created:	2019-08-02
Last modified:	2024-09-27

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2 entries where P6S is covalently linked to polymer or other heterogen groups 13 entries where P6S is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of P6S

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Chemical Component Summary
Name	benzyl hydrogen carbonate
Systematic Name (OpenEye OEToolkits)	(phenylmethyl) hydrogen carbonate
Formula	C₈ H₈ O₃
Molecular Weight	152.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(OC(=O)O)c1ccccc1
SMILES	CACTVS	3.385	OC(=O)OCc1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)COC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)OCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)COC(=O)O
InChI	InChI	1.03	InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey	InChI	1.03	NJAPCAIWQRPQPY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2285

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.