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Substance Name: 1-Amino-4-((3,5-bis(((chloroacetyl)amino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
RN: 94159-06-5
InChIKey: JCMYEBPPMIUWCN-UHFFFAOYSA-N

Molecular Formula

  • C29-H28-Cl2-N4-O7-S

Molecular Weight

  • 647.5332
 
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Names and Synonyms

Synonym

  • EINECS 303-181-7

Systematic Name

  • 1-Amino-4-((3,5-bis(((chloroacetyl)amino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

Registry Numbers

CAS Registry Number

  • 94159-06-5

System Generated Number

  • 0094159065

Structure Descriptors

InChI

1S/C29H28Cl2N4O7S/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42)

InChIKey

JCMYEBPPMIUWCN-UHFFFAOYSA-N

Smiles

c1(c(cc(c2C(c3ccccc3C(c12)=O)=O)Nc1c(c(c(c(c1C)CNC(=O)CCl)C)CNC(=O)CCl)C)S(=O)(=O)O)N