(Q81982675)

English

Parent of C.I. Direct Blue 273

group of stereoisomers with the chemical formula C₃₃H₂₀CuN₅O₁₁S₃³⁻

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

820.9633876997301 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₂₀CuN₅O₁₁S₃³⁻

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2[O-])c([O-])cc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Cu+2]

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

Cc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2[O-])c([O-])cc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Cu+2]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C33H25N5O11S3.Cu/c1-18-12-27(28(39)17-26(18)36-35-22-15-25-24(30(16-22)51(44,45)46)8-5-9-29(25)50(41,42)43)37-38-32-31(52(47,48)49)14-19-13-21(10-11-23(19)33(32)40)34-20-6-3-2-4-7-20;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);/q;+2/p-5/b36-35?,38-37+;

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InChIKey

CNNZEVFVEOYQOU-CMAUUONYSA-I

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DSSTOX compound identifier

DTXCID701323725

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(Q81982675)

Parent of C.I. Direct Blue 273

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