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AZN

Summary
Name:ALIZARIN RED
Formula:C14 H8 O7 S
Formal charge:0
Formula weight:320.274 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
OpenEye OEToolkits1.5.03,4-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O
SMILES_CANONICALCACTVS3.341Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O
SMILESCACTVS3.341Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O
InChIInChI1.03InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)
InChIKeyInChI1.03JKYKXTRKURYNGW-UHFFFAOYSA-N

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PDB entries from 2024-10-09

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