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Substance Name: 3,10-Bis((4-amino-2,5-disulphophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid
RN: 78925-22-1
InChIKey: KTAOIBPHDVTOGV-UHFFFAOYSA-N

Molecular Formula

  • C30-H20-Cl2-N6-O20-S6

Molecular Weight

  • 1047.812
 
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Names and Synonyms

Synonym

  • EINECS 279-008-3

Systematic Name

  • 3,10-Bis((4-amino-2,5-disulphophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid

Registry Numbers

CAS Registry Number

  • 78925-22-1

System Generated Number

  • 0078925221

Structure Descriptors

InChI

1S/C30H20Cl2N6O20S6/c31-21-23-27(57-25-11(37-23)1-3-13(29(25)63(51,52)53)35-15-7-17(59(39,40)41)9(33)5-19(15)61(45,46)47)22(32)24-28(21)58-26-12(38-24)2-4-14(30(26)64(54,55)56)36-16-8-18(60(42,43)44)10(34)6-20(16)62(48,49)50/h1-8,35-36H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)

InChIKey

KTAOIBPHDVTOGV-UHFFFAOYSA-N

Smiles

c1cc(c(c2c1N=c3c(c(c4=Nc5ccc(c(c5Oc4c3Cl)S(=O)(=O)O)Nc6cc(c(cc6S(=O)(=O)O)N)S(=O)(=O)O)Cl)O2)S(=O)(=O)O)Nc7cc(c(cc7S(=O)(=O)O)N)S(=O)(=O)O