C.I. Acid red 183
HIT218847641
sdf文件结构编辑类似物检索
HIT ID: HIT218847641
Cas No: 6408-31-7
分子式: C16H10ClCrN4Na2O9S2
分子量: 599.82
常用名: C.I. Acid red 183
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: disodium 4-chloro-14-methyl-9-oxido-6-sulfonato-12-(3-sulfonatophenyl)-8lambda3-oxa-10lambda3-oxa-1lambda5,12,13,16-tetraaza-9-chromatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2,4,6,10,13-hexaene-9,9,9-tris(ylium)-8,15-diid-1-yl
IUPAC: disodium 4-chloro-14-methyl-9-oxido-6-sulfonato-12-(3-sulfonatophenyl)-8lambda3-oxa-10lambda3-oxa-1lambda5,12,13,16-tetraaza-9-chromatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2,4,6,10,13-hexaene-9,9,9-tris(ylium)-8,15-diid-1-yl
SMILES: [Na+].[Na+].CC1=NN(C2=[O][Cr+3]3([OH-])[O-]c4c(cc(Cl)cc4S([O-])(=O)=O)[N]3=N[C-]12)c1cccc(c1)S([O-])(=O)=O
SMILES: [Na+].[Na+].CC1=NN(C2=[O][Cr+3]3([OH-])[O-]c4c(cc(Cl)cc4S([O-])(=O)=O)[N]3=N[C-]12)c1cccc(c1)S([O-])(=O)=O
InChI key: ICESUDNPAORYSV-UHFFFAOYSA-J
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