8ZO

prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate

Created:	2017-11-13
Last modified:	2024-09-27

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1 entries where 8ZO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of 8ZO

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Chemical Component Summary
Name	prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Systematic Name (OpenEye OEToolkits)	prop-2-enyl (3~{R})-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Formula	C₁₂ H₁₂ O₄ S
Molecular Weight	252.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C=CCOC(=O)[CH]1C[S](=O)(=O)c2ccccc12
SMILES	OpenEye OEToolkits	2.0.6	C=CCOC(=O)C1CS(=O)(=O)c2c1cccc2
Canonical SMILES	CACTVS	3.385	C=CCOC(=O)[C@@H]1C[S](=O)(=O)c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2
InChI	InChI	1.03	InChI=1S/C12H12O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2/t10-/m1/s1
InChIKey	InChI	1.03	FZYNHWOAZRRURO-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	154573795

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