(Q83064953)

English

EINECS 254-263-3

group of stereoisomers with the chemical formula C₂₃H₂₇N₃O₉S₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

553.1188714439998 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₇N₃O₉S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)SC2C(N=C(O)C(N)c3ccccc3)C(=O)N2C1C(=O)O.O=S(=O)(O)c1ccccc1OCO

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)S[C@@H]2[C@H](N=C(O)C(N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O=S(=O)(O)c1ccccc1OCO

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C16H19N3O4S.C7H8O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;8-5-12-6-3-1-2-4-7(6)13(9,10)11/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-4,8H,5H2,(H,9,10,11)/t9?,10-,11+,14-;/m1./s1

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InChIKey

HBKNADYQBSYSCB-GJUCOGTPSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID20114794

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(Q83064953)

EINECS 254-263-3

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Identifiers

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