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LYE

Summary
Name:bromophenol blue
Formula:C19 H10 Br4 O5 S
Formal charge:0
Formula weight:669.961 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28/h1-8,24H,(H,26,27,28)
InChIKeyInChI1.03FKNLPHIFYDXHIC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1c(Br)cc(cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3[S](O)(=O)=O
SMILESCACTVS3.385Oc1c(Br)cc(cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O

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PDB entries from 2024-09-11

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