InChI: | InChI=1/2C19H18N4O5S.Cr/c2*1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;/h2*3-10,20,25-26H,1-2H3,(H,21,24);/q;;+3/p-3/b2*23-22+; |
Specification: |
The C.I. Acid Black 60 is a kind of Organometallics. It is also known as Chromate(1-), bis(N-(7-(hydroxy-kappaO)-8-(2-(2-(hydroxy-kappaO)-5-((methylamino)sulfonyl)phenyl)diazenyl-kappaN1)-1-naphthalenyl)acetamidato(2-))-, hydrogen (1:1). Its cas registry number is 12218-95-0. Besides, it has other registry numbers which include 117537-53-8, 55524-08-8 and 70294-86-9. Its EINECS registry number is 235-404-8. Its IUPAC name is called 8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate; chromium(3+); hydron.
Physical properties about this chemical are: (1)#H bond acceptors: 18; (2)#H bond donors: 5; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 264.66 Å2.
In addition, you could convert the following data information into the molecular structure:
(1)InChI: InChI=1/2C19H18N4O5S.Cr/c2*1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;/h2*3-10,20,25-26H,1-2H3,(H,21,24);/q;;+3/p-3/b2*23-22+;;
(2)Smiles: c1(S(=O)(=O)NC)ccc([O-])c(\N=N\c2c(ccc3c2c(NC(=O)C)ccc3)[O-])c1.c1(cc(c(cc1)[O-]); (3)\N=N\c1c2c(NC(=O)C)cccc2ccc1[O-])S(=O)(=O)NC.[Cr+3]
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