8-[2-[4-(Acetylcyclohexylamino)phenyl]diazenyl]-7-hydroxy-1,3-naphthalenedisulfonic acid

HCID 79976

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Basic information

CAS: 25317-17-3
Standard SMILES: CC(=O)N(c1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1)C1CCCCC1
InChIKey: BKZAXHGPUGPHDB-UHFFFAOYSA-N
Molecular formula: C24H25N3O8S2
Average molar mass: 547.6 g/mol
Monoisotopic mass: 547.10830711

Names & identifiers

Preferred name: 8-[2-[4-(Acetylcyclohexylamino)phenyl]diazenyl]-7-hydroxy-1,3-naphthalenedisulfonic acid
IUPAC: 8-[[4-[acetyl(cyclohexyl)amino]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid

Names & synonyms

DTXSID2011237608-[2-[4-(Acetylcyclohexylamino)phenyl]diazenyl]-7-hydroxy-1,3-naphthalenedisulfonic acid25317-17-38-({4-[Acetyl(cyclohexyl)amino]phenyl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonic acid

Database identifiers

CAS: 25317-17-3
PubChem CID: 79976
DTXSID: DTXSID201123760
EC Number: 607-693-4

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 191 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 37
Formal charge: 0
Complexity: 1,040

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