الاسم: turquoise blue
IUPAC: copper;tetrasodium;34-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),3,5,7,9,12,14,16,18,21,23,25,27,30,32,34-hexadecaene-6,16,24-trisulfonate
SMILES:
Nc1nc(Cl)nc(Nc2ccc(S(=O)(=O)[O-])c(NS(=O)(=O)c3ccc4c5[nH]c(c4c3)Nc3[n-]c(c4ccc(S(=O)(=O)[O-])cc34)Nc3[nH]c(c4cc(S(=O)(=O)[O-])ccc34)Nc3[n-]c(c4ccc(S(=O)(=O)[O-])cc34)N5)c2)n1.[Cu+2].[Na+].[Na+].[Na+].[Na+]Canonical SMILES:
C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)Cl)NS(=O)(=O)C3=CC4=C5NC(=C4C=C3)NC6=C7C=CC(=CC7=C([N-]6)NC8=C9C=C(C=CC9=C(N8)NC1=C2C=CC(=CC2=C(N5)[N-]1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]الصيغة الجزيئية: C41H25ClCuN14Na4O14S5
الوزن الجزيئي: 1289.00
InChIKey: YXZRCLVVNRLPTP-UHFFFAOYSA-J
InChI:
PubChem CID: 137182975 →InChI=1S/C41H29ClN14O14S5.Cu.4Na/c42-39-53-40(43)55-41(54-39)44-16-1-10-30(75(68,69)70)29(11-16)56-71(57,58)17-2-6-21-25(12-17)35-47-31(21)45-32-23-8-4-19(73(62,63)64)14-27(23)37(49-32)52-38-28-15-20(74(65,66)67)5-9-24(28)34(50-38)46-33-22-7-3-18(72(59,60)61)13-26(22)36(48-33)51-35;;;;;/h1-15,45-47,50-52,56H,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H3,43,44,53,54,55);;;;;/q-2;+2;4*+1/p-4مرادفات
YXZRCLVVNRLPTP-UHFFFAOYSA-J
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