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Substance Name: Acid black S
RN: 30255-64-2
InChIKey: JWRKFFQQNVQJLW-VJETXLNASA-N

Molecular Formula

  • C36-H25-N5-O6-S2

Molecular Weight

  • 687.755
 
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Names and Synonyms

Name of Substance

  • Acid Black S

Synonym

  • EINECS 250-102-6

Systematic Name

  • 8-(Phenylamino)-5-((4-((5-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1-sulphonic acid

Registry Numbers

CAS Registry Number

  • 30255-64-2

Related Registry Number

  • 3071-73-6 (di-hydrochloride salt)

System Generated Number

  • 0030255642

Structure Descriptors

InChI

1S/C36H25N5O6S2/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47/h1-22,37H,(H,42,43,44)(H,45,46,47)/b39-38+,41-40+

InChIKey

JWRKFFQQNVQJLW-VJETXLNASA-N

Smiles

S(c1c2c(Nc3ccccc3)ccc(\N=N\c3c4c(cccc4)c(\N=N\c4c5c(c(S(=O)(=O)O)ccc5)ccc4)cc3)c2ccc1)(=O)(=O)O