IY8

methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid

Created:	2022-04-20
Last modified:	2024-09-27

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1 entries where IY8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	2
Bond Count	60
Aromatic Bond Count	0

2D diagram of IY8

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Chemical Component Summary
Name	methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid
Systematic Name (OpenEye OEToolkits)	methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinic acid
Formula	C₁₉ H₃₅ O₆ P
Molecular Weight	390.451
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CC=CCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC
Canonical SMILES	CACTVS	3.385	COC(=O)[C@H]([C@H](CCCCCCC/C=C/C)CC[P](O)(=O)OC)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C/C=C/CCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
InChI	InChI	1.06	InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1
InChIKey	InChI	1.06	KFPPYXMTKZSOKI-VGRIIWOTSA-N

Related Resource References

Resource Name	Reference
PubChem	165111561

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