9SW

methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid

Created:	2017-07-09
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	2
Bond Count	68
Aromatic Bond Count	0

2D diagram of 9SW

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Chemical Component Summary
Name	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Systematic Name (OpenEye OEToolkits)	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Formula	C₂₁ H₄₁ O₆ P
Molecular Weight	420.52
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCC[C@H](CC[P](O)(=O)OC)[C@H](C(C)=O)C(=O)OC
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
InChI	InChI	1.03	InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
InChIKey	InChI	1.03	VBHWHUMRWJDMHN-UXHICEINSA-N

Related Resource References

Resource Name	Reference
PubChem	132274387

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