(Q82946246)

English

7-[(1-Hydroxy-2-phenylethylidene)amino]-3-methyl-5,8-dioxo-5lambda~4~-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

group of stereoisomers with the chemical formula C₁₆H₁₆N₂O₅S

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Statements

group of stereoisomers

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chemical compound

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348.07799261199995 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₆N₂O₅S

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based on heuristic

inferred from SMILES

canonical SMILES

CC1=C(C(=O)O)N2C(=O)C(N=C(O)Cc3ccccc3)C2S(=O)C1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2S(=O)C1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C16H16N2O5S/c1-9-8-24(23)15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/t12-,15-,24?/m1/s1

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PHIMLNXVWFHTLQ-LCCRGGACSA-N

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CAS Registry Number

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PHIMLNXVWFHTLQ-LCCRGGACSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=49586-46-1

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401391989

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