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A1B6W

Summary
Name:(6S)-6-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Formula:C15 H12 Cl2 O3
Formal charge:0
Formula weight:311.16 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(6S)-6-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
OpenEye OEToolkits3.1.0.0(6~{S})-6-[2,3-bis(chloranyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1cccc(C2Cc3occ(c3CC2)C(=O)O)c1Cl
InChIInChI1.06InChI=1S/C15H12Cl2O3/c16-12-3-1-2-9(14(12)17)8-4-5-10-11(15(18)19)7-20-13(10)6-8/h1-3,7-8H,4-6H2,(H,18,19)/t8-/m0/s1
InChIKeyInChI1.06VPWHMMJISRAJRP-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1coc2C[C@H](CCc12)c3cccc(Cl)c3Cl
SMILESCACTVS3.385OC(=O)c1coc2C[CH](CCc12)c3cccc(Cl)c3Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Cl)[C@H]2CCc3c(coc3C2)C(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Cl)C2CCc3c(coc3C2)C(=O)O

254227

PDB entries from 2026-05-27

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