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Substance Name: 1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
RN: 25965-91-7
InChIKey: QECGUTSSKABWFV-UHFFFAOYSA-N

Molecular Formula

  • C32-H25-Cl-N6-O12-S3

Molecular Weight

  • 817.231
 
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Names and Synonyms

Synonym

  • EINECS 247-379-0

Systematic Name

  • 1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

Registry Numbers

CAS Registry Number

  • 25965-91-7

System Generated Number

  • 0025965917

Structure Descriptors

InChI

1S/C32H25ClN6O12S3/c1-13-25(35-20-12-21(53(45,46)47)24(34)23-22(20)27(40)18-6-4-5-7-19(18)28(23)41)14(2)29(54(48,49)50)15(3)26(13)36-31-37-30(33)38-32(39-31)51-16-8-10-17(11-9-16)52(42,43)44/h4-12,35H,34H2,1-3H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,36,37,38,39)

InChIKey

QECGUTSSKABWFV-UHFFFAOYSA-N

Smiles

c12c(C(=O)c3c(C1=O)cccc3)c(Nc1c(c(S(=O)(=O)O)c(c(c1C)Nc1nc(Oc3ccc(S(=O)(=O)O)cc3)nc(n1)Cl)C)C)cc(c2N)S(=O)(=O)O