B6X

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Summary

Name:(3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid
Formula:C11 H20 O4 S
Formal charge:0
Molecular weight:248.339 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid
OpenEye OEToolkits2.0.6(3~{R})-3-(2-hydroxy-2-oxoethylsulfanyl)nonanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CSC(CC(=O)O)CCCCCC
InChIInChI1.03InChI=1S/C11H20O4S/c1-2-3-4-5-6-9(7-10(12)13)16-8-11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyInChI1.03YVPPUISYPJOKND-SECBINFHSA-N
SMILES_CANONICALCACTVS3.385CCCCCC[C@H](CC(O)=O)SCC(O)=O
SMILESCACTVS3.385CCCCCC[CH](CC(O)=O)SCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCC[C@H](CC(=O)O)SCC(=O)O
SMILESOpenEye OEToolkits2.0.6CCCCCCC(CC(=O)O)SCC(=O)O