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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfonic acid > arenesulfonic acid > naphthalenesulfonic acid > c.i. direct red 45
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > organosulfonic acid > arenesulfonic acid > naphthalenesulfonic acid > c.i. direct red 45
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > organosulfonic acid > arenesulfonic acid > naphthalenesulfonic acid > c.i. direct red 45

Preferred term

c.i. direct red 45  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C24H17N3O7S3.Na

inchi

  • InChI=1S/C24H17N3O7S3.Na/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28;/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34);/q;+1/b27-26+;

inchikey

  • LMGRYSKYVOBTBB-JGUILPGDSA-N

mass

  • 578.580

monoisotopicmass

  • 578.01208

smiles

  • S(O)(=O)(=O)C=1C=2SC(=NC2C=CC1C)C3=CC=C(/N=N/C4=C(O)C=5C(C(S(O)(=O)=O)=C4)=CC=CC5)C=C3.[Na+]

subset

  • 2_STAR

synonym EXACT

  • sodium.2-[4-[(1-hydroxy-4-sulonaphthalen-2-yl)diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulonic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180759

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