Chemical Identifiers |
- Formula
- C42H24Cl4N6Na4O18S4
- Canonical SMILES
-
COC1=CC(=C(C=C1NN=C2C(=CC3=C(C2=O)C(=CC(=C3)S(=O)(=O)[O-])NC(=O)C4=C(C(=CC=C4)Cl)Cl)S(=O)(=O)[O-])OC)NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])NC(=O)C7=C(C=C(C=C7)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
- InChI
-
1S/C42H28Cl4N6O18S4.4Na/c1-69-30-16-27(50-52-38-33(74(66,67)68)11-18-9-21(72(60,61)62)14-29(35(18)40(38)54)48-42(56)23-4-3-5-24(44)36(23)46)31(70-2)15-26(30)49-51-37-32(73(63,64)65)10-17-8-20(71(57,58)59)13-28(34(17)39(37)53)47-41(55)22-7-6-19(43)12-25(22)45;;;;/h3-16,49-50H,1-2H3,(H,47,55)(H,48,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4/b51-37-,52-38-;;;;
- InChIKey
-
ZHLWZRQBFUUDMG-PWABEOQWSA-J
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