4-amino-3-[(E)-[4-[4-[(E)-(1-amino-4-sulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo]naphthalene-1-sulfonic acid

HCID 17872

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Basic information

CAS: 25188-28-7
Standard SMILES: COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N
InChIKey: DZXPRYUVRGUYGO-UHFFFAOYSA-N
Molecular formula: C34H28N6O8S2
Average molar mass: 712.8 g/mol
Monoisotopic mass: 712.14100386

Names & identifiers

Preferred name: 4-amino-3-[(E)-[4-[4-[(E)-(1-amino-4-sulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo]naphthalene-1-sulfonic acid
IUPAC: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid

Names & synonyms

C.I. Direct Red 725188-28-74-amino-3-[(E)-[4-[4-[(E)-(1-amino-4-sulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo]naphthalene-1-sulfonic acidNSC638361Direct Red 7 free acidSCHEMBL19154349SCHEMBL23787619DTXSID908630409NE259W5E51-Naphthalenesulfonic acid, 3,3'-[(2,2'-dimethoxy-4,1- biphenyl)bis(azo)]bis[4-amino-1-Naphthalenesulfonic acid, {3,3'-[(2,2'-dimethoxy-4,1-} {biphenyl)bis(azo)]bis[4-amino-,} disodium salt1-Naphthalenesulfonic acid, 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-

Show more names

3,3'-[(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-1-naphthalenesulfonic acid]3,3'-[(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(4-aminonaphthalene-1-sulfonic acid)

Database identifiers

CAS: 25188-28-7

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 245 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 14
Rotatable bonds: 9
Heavy atoms: 50
Formal charge: 0
Complexity: 1,320

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