Catalog Number:
AG00C9WA
Chemical Name:
Phthalocyanine tetrasulfonic acid
CAS Number:
33308-41-7
Molecular Formula:
C32H18N8O12S4
Molecular Weight:
834.7917
MDL Number:
MFCD00216792
IUPAC Name:
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetrasulfonic acid
InChI:
InChI=1S/C32H18N8O12S4/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29/h1-12H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H2,33,34,35,36,37,38,39,40)
InChI Key:
NUSQOFAKCBLANB-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)C1=N/C/2=N\c2[nH]c(c3c2cc(cc3)S(=O)(=O)O)/N=C/2\N=C(/N=c/3\[nH]/c(=N\1)/c1ccc(cc31)S(=O)(=O)O)c1c2cc(cc1)S(=O)(=O)O
