6F8

3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol

Created:	2016-03-29
Last modified:	2016-08-03

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1 entries where 6F8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	6

2D diagram of 6F8

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Chemical Component Summary
Name	3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
Systematic Name (OpenEye OEToolkits)	3-[(8~{Z},11~{Z})-pentadeca-8,11-dienyl]benzene-1,2-diol
Formula	C₂₁ H₃₂ O₂
Molecular Weight	316.478
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O
SMILES	CACTVS	3.385	CCCC=CCC=CCCCCCCCc1cccc(O)c1O
SMILES	OpenEye OEToolkits	2.0.4	CCCC=CCC=CCCCCCCCc1cccc(c1O)O
Canonical SMILES	CACTVS	3.385	CCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O
InChI	InChI	1.03	InChI=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-
InChIKey	InChI	1.03	RMTXUPIIESNLPW-UTOQUPLUSA-N

Related Resource References

Resource Name	Reference
PubChem	12444628
ChEBI	CHEBI:140612

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