(Q82984946)

English

Disodium 3-({4-amino-9,10-dioxo-3-[2-sulfonato-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzene-1-sulfonate

chemical compound

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type of chemical entity

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chemical compound

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mass

764.1814113560001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₈N₂Na₂O₉S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1cc(Oc2ccc(C(C)(C)CC(C)(C)C)cc2S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H40N2O9S2.2Na/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6;;/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

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InChIKey

VVIVVAIHOWVTHB-UHFFFAOYSA-L

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DSSTOX compound identifier

DTXCID5029922

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(Q82984946)

Disodium 3-({4-amino-9,10-dioxo-3-[2-sulfonato-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzene-1-sulfonate

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