72705-26-1 Purity
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Specification
The molecular formula of Direct Black 80 is C36H23N8Na3O11S3.
Direct Black 80 was created on January 18, 2019, and last modified on December 23, 2023.
The IUPAC name of Direct Black 80 is "trisodium;6-amino-3-[[7-[[4-[(4-amino-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2-sulfonate."
The InChI of Direct Black 80 is InChI=1S/C36H26N8O11S3.3Na/c37-20-3-1-18-13-31(57(50,51)52)33(35(45)26(18)15-20)44-41-23-4-2-19-14-32(58(53,54)55)34(36(46)27(19)16-23)43-40-22-7-5-21(6-8-22)39-42-30-12-11-29(38)28-17-24(56(47,48)49)9-10-25(28)30;;;/h1-17,45-46H,37-38H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3.
Direct Black 80 has 4 hydrogen bond donor counts.
The exact mass of Direct Black 80 is 908.03414995 g/mol.
There are 61 heavy atoms present in Direct Black 80.
No, Direct Black 80 does not have any defined atom stereocenter counts.
The topological polar surface area of Direct Black 80 is 363 Ų.
Yes, Direct Black 80 is a canonicalized compound.