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1,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(4-(2-(4-((4-aminobenzoyl)amino)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-

HCID 416583
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Basic information

CAS
71033-06-2
Standard SMILES
Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)c1
InChIKey
HAULGSWNNVRSDU-UHFFFAOYSA-N
Molecular formula
C38H32N8O7S2
Average molar mass
776.8 g/mol
Monoisotopic mass
776.18353774

Names & identifiers

Preferred name
1,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(4-(2-(4-((4-aminobenzoyl)amino)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-
IUPAC
7-[[4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid

Names & synonyms

1,3-Naphthalenedisulfonic acid, 7-((4-((4-((4-((4-aminobenzoyl)amino)-2-methylphenyl)azo)-2-methylphenyl)azo)-2-methylphenyl)azo)-DTXSID908878221,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(4-(2-(4-((4-aminobenzoyl)amino)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-7-((4-((4-((4-(p-Aminobenzamido)-o-tolyl)azo)-o-tolyl)azo)-o-tolyl)azo)-1,3-naphthalenedisulfonic acid1,3-Naphthalenedisulfonic acid, 7-[[4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]azo]-2-methylphenyl]azo]-2-methylphenyl]azo]-1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-[4-[2-[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-RefChem:415357DTXCID90102710771033-06-27-({4-[(4-{[4-(4-Aminobenzamido)-2-methylphenyl]diazenyl}-2-methylphenyl)diazenyl]-2-methylphenyl}diazenyl)naphthalene-1,3-disulfonic acid

Database identifiers

CAS
71033-06-2
PubChem CID
416583
DTXSID
DTXSID90887822
Nikkaji
J446.649G

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
255 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
14
Rotatable bonds
10
Heavy atoms
55
Formal charge
0
Complexity
1,610

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-[4-[2-[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-: INACTIVE

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