2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[2-[2-methoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)

HCID 177842016

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Basic information

CAS: 152759-85-8
Standard SMILES: COc1cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(N)c2c1O.[Na+].[Na+].[Na+].[Na]
InChIKey: OLHFASQFXOXAME-UHFFFAOYSA-J
Molecular formula: C27H23N5Na4O20S6-
Average molar mass: 1,021.9 g/mol
Monoisotopic mass: 1,020.8851423

Names & identifiers

Preferred name: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[2-[2-methoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)

Names & synonyms

DTXSID101361175152759-85-82,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[2-[2-methoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)

Database identifiers

CAS: 152759-85-8
PubChem CID: 177842016
DTXSID: DTXSID101361175
EC Number: 604-868-7

Properties

Computed structural properties

Topological polar surface area: 471 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 25
Rotatable bonds: 13
Heavy atoms: 62
Formal charge: -1
Complexity: 2,100

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