UT8

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

Created:	2021-03-17
Last modified:	2024-09-27

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1 entries where UT8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of UT8

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Chemical Component Summary
Name	4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Systematic Name (OpenEye OEToolkits)	4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula	C₁₆ H₁₅ N O₅ S
Molecular Weight	333.359
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O
Canonical SMILES	CACTVS	3.385	COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O
InChI	InChI	1.03	InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
InChIKey	InChI	1.03	MLUUQFXYDBEHMS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155923737

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