(Q82891707)

English

S-(1-Hydroxy-1,2-dihydronaphthalen-2-yl)-N-(1-hydroxyethylidene)cysteine

chemical compound

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Statements

group of stereoisomers

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chemical compound

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307.087829024 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₇NO₄S

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based on heuristic

inferred from SMILES

canonical SMILES

CC(O)=NC(CSC1C=Cc2ccccc2C1O)C(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)N[C@@H](CSC1C=Cc2ccccc2[C@H]1O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-13-7-6-10-4-2-3-5-11(10)14(13)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13?,14+/m0/s1

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UPBOCTGEVBXZNT-SMEJFCCLSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801348168

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