Eriochrome Black T(1787-61-7) IR1
Product NameEriochrome Black T
CAS1787-61-7
Molecular FormulaC20H12N3NaO7S
Molecular Weight461.38
InChIInChI=1S/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1/b22-21+;
InChIKey AMMWFYKTZVIRFN-QUABFQRHSA-M
SmilesC12C=C(C=CC1=C(/N=N/C1=CC=C3C=CC=CC3=C1O)C(O)=CC=2S([O-])(=O)=O)[N+]([O-])=O.[Na+]
