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H7N : Summary

Code

H7N

One-letter code

X

Molecule name

butoxy(hexyl)phosphinic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 butoxy(hexyl)phosphinic acid

Formula

C10 H23 O3 P

Formal charge

0

Molecular weight

222.262 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCC[P](O)(=O)OCCCC
SMILES OpenEye OEToolkits 2.0.6 CCCCCCP(=O)(O)OCCCC
Canonical SMILES CACTVS 3.385 CCCCCC[P](O)(=O)OCCCC
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCC[P@@](=O)(O)OCCCC

IUPAC InChI

InChI=1S/C10H23O3P/c1-3-5-7-8-10-14(11,12)13-9-6-4-2/h3-10H2,1-2H3,(H,11,12)

IUPAC InChI key

ALZDUSNEVXETKK-UHFFFAOYSA-N
H7N

wwPDB Information

Atom count

37 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-11-20

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned