2-[4,5-bis[bis(pyridin-2-ylmethyl)ammoniomethyl]-2,7-dichloro-6-oxido-3-oxo-xanthen-9-yl]benzoate
Molecular Formula:
C
46
H
36
Cl
2
N
6
O
5
InChI:
InChI=1/C46H36Cl2N6O5/c47-39-21-35-41(33-15-1-2-16-34(33)46(57)58)36-22-40(48)43(56)38(28-54(25-31-13-5-9-19-51-31)26-32-14-6-10-20-52-32)45(36)59-44(35)37(42(39)55)27-53(23-29-11-3-7-17-49-29)24-30-12-4-8-18-50-30/h1-22,55H,23-28H2,(H,57,58)/f/h55h,53-54H
InChIKey:
InChIKey=NKEYRLVORYSIBB-UATHAUEUCC
SMILES:
C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Cl)[O-])C[NH+](CC5=CC=CC=N5)CC6=CC=CC=N6)C[NH+](CC7=CC=CC=N7)CC8=CC=CC=N8)Cl)C(=O)[O-]
Names:
2-[4,5-bis[bis(pyridin-2-ylmethyl)ammoniomethyl]-2,7-dichloro-6-oxido-3-oxo-xanthen-9-yl]benzoate
Registries:
PubChem CID 4250763
PubChem ID 8399601
