CHEBI:94220 - 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester

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ChEBI Name 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester
ChEBI ID CHEBI:94220
Stars This entity has been manually annotated by a third party.
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Formula C16H15NO7S2
Net Charge 0
Average Mass 397.426
Monoisotopic Mass 397.02899
InChI InChI=1S/C16H15NO7S2/c1-26(22,23)13-7-8-15(14(9-13)17(19)20)25(21)11-16(18)24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKey HOPVGZYLIFZCOP-UHFFFAOYSA-N
SMILES CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]
ChEBI Ontology
Outgoing 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester (CHEBI:94220) has functional parent benzyl alcohol (CHEBI:17987)
2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester (CHEBI:94220) is a carboxylic ester (CHEBI:33308)
Manual Xref Database
LSM-4843 LINCS
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