82944-42-1 Purity
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Specification
The PubChem CID of Direct Red 31 is 78698.
The molecular formula of Direct Red 31 is C32H21N5Na2O8S2.
Some synonyms for Direct Red 31 are Direct Red 12B, Disodium 7,7'-iminobis(4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate), and disodium;4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)amino]-3-phenyldiazenylnaphthalene-2-sulfonate.
The molecular weight of Direct Red 31 is 713.7 g/mol.
The parent compound of Direct Red 31 is CID 78699 (7,7'-Iminobis[4-hydroxy-3-(2-phenyldiazenyl)-2-naphthalenesulfonic acid]).
The component compounds of Direct Red 31 are CID 5360545 (Sodium) and CID 78699 (7,7'-Iminobis[4-hydroxy-3-(2-phenyldiazenyl)-2-naphthalenesulfonic acid]).
Direct Red 31 was created on 2005-07-19 and last modified on 2023-12-23.
The IUPAC name of Direct Red 31 is disodium;4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)amino]-3-phenyldiazenylnaphthalene-2-sulfonate.
The CAS number of Direct Red 31 is 5001-72-9.
The European Community (EC) number of Direct Red 31 is 225-669-8.
The chemical name of Direct Red 31 is disodium;4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)amino]-3-phenyldiazenylnaphthalene-2-sulfonate.
The InChI of Direct Red 31 is InChI=1S/C32H23N5O8S2.2Na/c38-31-25-13-11-23(15-19(25)17-27(46(40,41)42)29(31)36-34-21-7-3-1-4-8-21)33-24-12-14-26-20(16-24)18-28(47(43,44)45)30(32(26)39)37-35-22-9-5-2-6-10-22;;/h1-18,33,38-39H,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2.
The InChIKey of Direct Red 31 is OYUZMQYZGSMPII-UHFFFAOYSA-L.
The canonical SMILES of Direct Red 31 is C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].
The hydrogen bond acceptor count of Direct Red 31 is 13.