Structure

Direct Black 80

CAS
8003-69-8
Catalog Number
ACM8003698
Category
Direct Dyes
Molecular Weight
908.77
Molecular Formula
C36H23N8Na3O11S3

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Specification

Synonyms
Direct Black 80;Direct black OB
Appearance
Bluish-black to black powder. Odorless.
What is the molecular formula of Direct Black 80?

The molecular formula of Direct Black 80 is C36H23N8Na3O11S3.

When was Direct Black 80 created and last modified?

Direct Black 80 was created on January 18, 2019, and last modified on December 23, 2023.

How is the IUPAC name of Direct Black 80 represented?

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."

What is the InChI of Direct Black 80?

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.

How many hydrogen bond donor counts does Direct Black 80 have?

Direct Black 80 has 4 hydrogen bond donor counts.

What is the exact mass of Direct Black 80?

The exact mass of Direct Black 80 is 908.03414995 g/mol.

How many heavy atoms are present in Direct Black 80?

There are 61 heavy atoms present in Direct Black 80.

Does Direct Black 80 have any defined atom stereocenter counts?

No, Direct Black 80 does not have any defined atom stereocenter counts.

What is the topological polar surface area of Direct Black 80?

The topological polar surface area of Direct Black 80 is 363 Ų.

Is Direct Black 80 a canonicalized compound?

Yes, Direct Black 80 is a canonicalized compound.

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