disodium 4-amino-3-[(1E)-2-{4'-[(1E)-2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]naphthalene-1-sulfonate

Compound number:
MolPort-002-320-629
CAS number: 573-58-0
IUPAC:
disodium 4-amino-3-[(1E)-2-{4'-[(1E)-2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]naphthalene-1-sulfonate
IUPAC traditional:
congo red
SMILES:
[Na+].[Na+].Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
InChI key:
IQFVPQOLBLOTPF-HKXUKFGYSA-L
Molecular formula:
C32H22N6Na2O6S2
Molecular weight: 696.66
Sample Reformatting

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More Information

Compound Identifiers
Compound number: MolPort-002-320-629
CAS number: 573-58-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003830554
MFCD00004028
1-Naphthalenesulfonic acid,3,3'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[4-amino-, disodium salt
3,3'-[(1,1'-Biphenyl)-4,4'-diyl-bis(azo)]bis(4-amino-1-naphthalenesulfonic acid) 2Na
C.I.Direct Red 28
Congo red
Congo Red 4b
Congo Red (90%)
Congo Red Certified
Congo Red, indicator grade
Direct Red 28
DIRECTRED 28
disodium 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis(4-aminonaphthalene-1-sulphonate)
disodium 3,3'-[4,4'-biphenyldiylbis(2,1-diazenediyl)]bis(4-amino-1-naphthalenesulfonate)

InChI
InChI: 1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b37-35+,38-36+;;
InChI key: IQFVPQOLBLOTPF-HKXUKFGYSA-L

Calculated Properties
Molecular formula: C32H22N6Na2O6S2
Molecular weight: 696.66

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2019 MolPort, v3.22, release date 14-10-2019 15:00 (+0200). All rights reserved.
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