Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4,4'-(Ethylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(4-sulpho-3,1-phenylene)imino))bis(1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic) acid
RN: 93942-62-2
InChIKey: ZDLUARUVMTVLSU-MDZDMXLPSA-N

Molecular Formula

  • C60-H40-Cl2-N14-O22-S6

Molecular Weight

  • 1572.354
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 300-616-2

Systematic Name

  • 4,4'-(Ethylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(4-sulpho-3,1-phenylene)imino))bis(1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic) acid

Registry Numbers

CAS Registry Number

  • 93942-62-2

System Generated Number

  • 0093942622

Structure Descriptors

InChI

1S/C60H40Cl2N14O22S6/c61-55-71-57(75-59(73-55)69-35-19-27(15-17-39(35)99(81,82)83)65-37-23-43(103(93,94)95)49(63)47-45(37)51(77)31-5-1-3-7-33(31)53(47)79)67-29-13-11-25(41(21-29)101(87,88)89)9-10-26-12-14-30(22-42(26)102(90,91)92)68-58-72-56(62)74-60(76-58)70-36-20-28(16-18-40(36)100(84,85)86)66-38-24-44(104(96,97)98)50(64)48-46(38)52(78)32-6-2-4-8-34(32)54(48)80/h1-24,65-66H,63-64H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,67,69,71,73,75)(H2,68,70,72,74,76)/b10-9+

InChIKey

ZDLUARUVMTVLSU-MDZDMXLPSA-N

Smiles

c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)Nc5nc(nc(n5)Cl)Nc6ccc(c(c6)S(=O)(=O)O)/C=C/c7ccc(cc7S(=O)(=O)O)Nc8nc(nc(n8)Cl)Nc9cc(ccc9S(=O)(=O)O)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O)S(=O)(=O)O