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6F8

Summary
Name:3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
Formula:C21 H32 O2
Formal charge:0
Formula weight:316.478 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
OpenEye OEToolkits2.0.43-[(8~{Z},11~{Z})-pentadeca-8,11-dienyl]benzene-1,2-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O
InChIInChI1.03InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
InChIKeyInChI1.03RMTXUPIIESNLPW-UTOQUPLUSA-N
SMILES_CANONICALCACTVS3.385CCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1O
SMILESCACTVS3.385CCCC=CCC=CCCCCCCCc1cccc(O)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.4CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O
SMILESOpenEye OEToolkits2.0.4CCCC=CCC=CCCCCCCCc1cccc(c1O)O

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PDB entries from 2024-07-10

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