(Q82895217)

English

12-Hydroxy-5,11-dioxo-1,2,7,8,11,12-hexahydro-5H-7,9-epithio-8a,12-methanoazocino[4,3,2,1-lmn]pyrrolo[4,3,2-de][1,7]phenanthroline-6,13-diium-4-ide

chemical compound

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Statements

type of chemical entity

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chemical compound

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352.07503872809 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₄N₃O₃S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C1C=C2SC3NC=4C(O)=C5N=CC6=C5C=7C4C2(C3)CC1(O)[N+]7CC6

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Identifiers

InChI=1S/C18H13N3O3S/c22-8-3-9-17-4-10(25-9)20-14-12(17)15-11-7(5-19-13(11)16(14)23)1-2-21(15)18(8,24)6-17/h3,5,10,24H,1-2,4,6H2,(H,19,20,23)/p+1

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OWNAOHKBXODWEL-UHFFFAOYSA-O

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CAS Registry Number

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID101350883

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