EL3

(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene

Created:	2008-09-22
Last modified:	2020-06-05

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1 entries where EL3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	3
Bond Count	41
Aromatic Bond Count	0

2D diagram of EL3

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Chemical Component Summary
Name	(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene
Synonyms	2,2,3,7R-tetramethyl-1R,8S-tricyclo-[6.2.1.0(4,8)]undec-3-en
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₅ H₂₄
Molecular Weight	204.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	C3(=C1CCC(C12CCC(C2)C3(C)C)C)C
SMILES	CACTVS	3.341	C[CH]1CCC2=C(C)C(C)(C)[CH]3CC[C]12C3
SMILES	OpenEye OEToolkits	1.5.0	CC1CCC2=C(C(C3CCC12C3)(C)C)C
Canonical SMILES	CACTVS	3.341	C[C@H]1CCC2=C(C)C(C)(C)[C@H]3CC[C@@]12C3
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C
InChI	InChI	1.03	InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1
InChIKey	InChI	1.03	CYLSPJUZBPWJGC-ITDIGPHOSA-N

Related Resource References

Resource Name	Reference
PubChem	23724686
ChEBI	CHEBI:51458

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