6226-76-2
CROCEIN SCARLET 7B
Name
CROCEIN SCARLET 7B
Formula
C24 H18 N4 O7 S2 . 2 Na
MolWeight
584.539
1Identification
【Name】
CROCEIN SCARLET 7B
【CAS】
【MDL】
MFCD00056588
【English Synonyms】
【Formula】
C24 H18 N4 O7 S2 . 2 Na
【MolWeight】
584.539
【Inchi】
InChI=1S/C24H20N4O7S2.2Na/c1-14-12-17(25-26-20-10-8-18(13-15(20)2)36(30,31)32)7-9-19(14)27-28-24-21(29)11-6-16-4-3-5-22(23(16)24)37(33,34)35;;/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/b26-25+,28-27+;;
【InChIKey】
InChIKey=GMWXFMFHCCFVJU-NPYGFOBASA-L
【SMILES】
Cc1cc(ccc1/N=N/c2c(ccc3c2c(ccc3)S(=O)(=O)[O-])O)/N=N/c4ccc(cc4C)S(=O)(=O)[O-].[Na+].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:11
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
Chem-Impex International, Inc. :CROCEIN SCARLET 7B
4CML File
CROCEIN SCARLET 7B.cml
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