A1L2V

(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one

Created:	2024-07-09
Last modified:	2024-10-09

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1 entries where A1L2V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of A1L2V

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Chemical Component Summary
Name	(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one
Systematic Name (OpenEye OEToolkits)	(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one
Formula	C₁₅ H₁₁ Cl O₄
Molecular Weight	290.698
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Cl)c2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Cl)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(Cl)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)Cl)O
InChI	InChI	1.06	InChI=1S/C15H11ClO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+
InChIKey	InChI	1.06	ROHDVIDCQSNCQQ-ORCRQEGFSA-N

Related Resource References

Resource Name	Reference
PubChem	172052355

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