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/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;

【InChIKey】

InChIKey=XHVDAQLNUQLQKW-YKKPBKTHSA-K

【SMILES】

c1cc(ccc1/c/2c/3\cc/c4/n3[Mn](n5c(ccc5/c(c/6\nc(\c4\c7ccc(cc7)C(=O)O)C=C6)/c8ccc(cc8)C(=O)O)/c(c/9\nc2C=C9)/c1ccc(cc1)C(=O)O)Cl)C(=O)O

【MOL File】

MNTBAP.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:4

H bond acceptor:12

XLogP3:11.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

MNTBAP.cml

Quick Release

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55266-18-7 MNTBAP

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】