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ADL

Summary
Name:(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
Synonyms:ACETYL DITHRANOL
Formula:C16 H12 O5
Formal charge:0
Formula weight:284.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1,8-dihydroxy-9-oxo-9,10-dihydroanthracen-2-yl)acetic acid
OpenEye OEToolkits1.5.02-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3
SMILES_CANONICALCACTVS3.341OC(=O)Cc1ccc2Cc3cccc(O)c3C(=O)c2c1O
SMILESCACTVS3.341OC(=O)Cc1ccc2Cc3cccc(O)c3C(=O)c2c1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2
SMILESOpenEye OEToolkits1.5.0c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2
InChIInChI1.03InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19)
InChIKeyInChI1.03IXLRLZOYKJERRA-UHFFFAOYSA-N

221716

PDB entries from 2024-06-26

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