USW

4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde

Created:	2021-03-15
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of USW

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Chemical Component Summary
Name	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Systematic Name (OpenEye OEToolkits)	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula	C₁₅ H₁₂ Cl N O₄ S
Molecular Weight	337.778
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl
InChI	InChI	1.03	InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
InChIKey	InChI	1.03	JBIHRNOVJUJFLI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155923736

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