InChI=1S/C16H13N3O8S2.2Na/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-18+;;

【InChIKey】

InChIKey=BBWPEJUNPNPWJI-BUFQOAPZSA-L

【SMILES】

c1cc(ccc1N)/N=N/c2c(cc3cc(cc(c3c2O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

【MOL File】

PONTACYL VIOLET 4BSN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:11

XLogP3:0.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

TCI (Shanghai) Development Co., Ltd. :PONTACYL VIOLET 4BSN

4CML File

PONTACYL VIOLET 4BSN.cml

Quick Release

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1681-60-3 PONTACYL VIOLET 4BSN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】