Structure Information
Structure

Compound Identification

SMILES

CC(O)=NC1=C(NNC2=CC(=C3C=CC=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O)C=CC(=C1)N=C1NC(=NC(N=C2C=CC(=CC=C3C=CC(C=C3)=NC3=NC(NC(=N3)[N+]3=CC=CC(=C3)C(O)=O)=NC3=CC(N=C(C)O)=C(C=C3)N=NC3=CC(=C4C=CC=C(C4=C3)S(O)(=O)=O)S(O)(=O)=O)C=C2)=N1)[N+]1=CC=CC(=C1)C(O)=O

InChIKey

InChIKey=ILPUGTSMRQKQRJ-UHFFFAOYSA-P

Formula

C68H52N18O18S4

Mass

1537.51

Export to:

JSON SDF CSV

Entity with smiles CC(O)=NC1=C(NNC2=CC(=C3C=CC=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O)C=CC(=C1)N=C1NC(=NC(N=C2C=CC(=CC=C3C=CC(C=C3)=NC3=NC(NC(=N3)[N+]3=CC=CC(=C3)C(O)=O)=NC3=CC(N=C(C)O)=C(C=C3)N=NC3=CC(=C4C=CC=C(C4=C3)S(O)(=O)=O)S(O)(=O)=O)C=C2)=N1)[N+]1=CC=CC(=C1)C(O)=O has not been classified yet.

Previous Back Next