CHEBI:189654 - 4E2RCat

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4E2RCat
ChEBI ID CHEBI:189654
Stars This entity has been manually annotated by a third party.
Submitter Jinyang Du
Supplier Information
Download Molfile XML SDF
Formula C22H14ClNO4S2
Net Charge 0
Average Mass 455.930
Monoisotopic Mass 455.00528
InChI InChI=1S/C22H14ClNO4S2/c23-17-8-6-14(10-16(17)21(26)27)18-9-7-15(28-18)11-19-20(25)24(22(29)30-19)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/b19-11+
InChIKey WOBPZFKXPCYOLU-YBFXNURJSA-N
SMILES ClC1=C(C(=C(C=2OC(\C(=C/3\SC(=S)N(C(C4=C(C(=C(C(=C4[H])[H])[H])[H])[H])([H])[H])C3=O)\[H])=C(C2[H])[H])C(=C1[H])[H])[H])C(O[H])=O
ChEBI Ontology
Outgoing 4E2RCat (CHEBI:189654) is a organic molecular entity (CHEBI:50860)