InChI=1S/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;

【InChIKey】

InChIKey=AKZFRMNXBLFDNN-GVHKZQBISA-K

【SMILES】

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1ccc(cc1)/c2/c3ccc([nH]3)/c(c/4\nc(/c(c\5/cc/c(/[nH]5)c(/c6n\c2\C=C6)\c7cc[n+](cc7)C)/c8cc[n+](cc8)C)C=C4)/c9cc[n+](cc9)C

【MOL File】

TMPYP.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:8

XLogP3:0.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

TCI (Shanghai) Development Co., Ltd. :TMPYP

4CML File

TMPYP.cml

Quick Release

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36951-72-1 TMPYP

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】