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TBC

Summary
Name:(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE
Formula:C20 H16 O
Formal charge:0
Formula weight:272.34 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-9-ol
OpenEye OEToolkits1.5.0(9S)-7,8,9,10-tetrahydrobenzo[a]pyren-9-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC5Cc2c(cc1ccc4c3c1c2ccc3ccc4)CC5
SMILES_CANONICALCACTVS3.341OC1CCc2cc3ccc4cccc5ccc(c2C1)c3c45
SMILESCACTVS3.341OC1CCc2cc3ccc4cccc5ccc(c2C1)c3c45
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O
SMILESOpenEye OEToolkits1.5.0c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(CC4)O
InChIInChI1.03InChI=1S/C20H16O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-5,7,9-10,16,21H,6,8,11H2
InChIKeyInChI1.03WJDNKJGWMKTBJQ-UHFFFAOYSA-N

221716

数据于2024-06-26公开中

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