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RET

Summary
Name:RETINAL
Formula:C20 H28 O
Formal charge:0
Formula weight:284.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01retinal
OpenEye OEToolkits1.7.0(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
SMILES_CANONICALCACTVS3.370CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
SMILESCACTVS3.370CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
SMILES_CANONICALOpenEye OEToolkits1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
SMILESOpenEye OEToolkits1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
InChIInChI1.03InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyInChI1.03NCYCYZXNIZJOKI-OVSJKPMPSA-N

218853

PDB entries from 2024-04-24

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