Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BOW

Summary
Name:octyl sulfamate
Synonyms:n-Octyl sulfamate
Formula:C8 H19 N O3 S
Formal charge:0
Formula weight:209.306 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02octyl sulfamate
OpenEye OEToolkits1.6.1octyl sulfamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=S(=O)(OCCCCCCCC)N
SMILES_CANONICALCACTVS3.352CCCCCCCCO[S](N)(=O)=O
SMILESCACTVS3.352CCCCCCCCO[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCCCCCCOS(=O)(=O)N
SMILESOpenEye OEToolkits1.7.0CCCCCCCCOS(=O)(=O)N
InChIInChI1.03InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
InChIKeyInChI1.03ZXWAFSSPWCHAJT-UHFFFAOYSA-N

224572

PDB entries from 2024-09-04

PDB statisticsPDBj update infoContact PDBjnumon