Catalog Number:
AG00DF2T
Chemical Name:
Mntbap
CAS Number:
55266-18-7
Molecular Formula:
C48H28ClMnN4O8
Molecular Weight:
879.1490
MDL Number:
MFCD06227760
IUPAC Name:
4-[10-(4-carboxylatophenyl)-15,20-bis(4-carboxyphenyl)-21H-porphyrin-22-id-5-yl]benzoate;manganese(3+);hydrochloride
InChI:
InChI=1S/C48H30N4O8.ClH.Mn/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;;/h1-24H,(H6,49,50,51,52,53,54,55,56,57,58,59,60);1H;/q;;+3/p-3
InChI Key:
XHVDAQLNUQLQKW-UHFFFAOYSA-K
SMILES:
OC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Mn](n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccc(cc1)C(=O)O)/c1ccc(cc1)C(=O)O)Cl)/c1ccc(cc1)C(=O)O
