AC1OB3BK structure

AC1OB3BK

7-hydroxy-8-[[4-[2-[2-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenoxy]ethoxy]ethoxy]phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Also Known As: (8Z)-7-Oxo-8-(2-{4-[2-(2-{4-[(2Z)-2-(2-oxo-3,6-disulfonaphthalen-1(2H)-ylidene)hydrazin-1-yl]phenoxy}ethoxy)ethoxy]phenyl}hydrazinylidene)-7,8-dihydronaphthalene-1,3-disulfonic acid|3-oxo-4-[[4-[2-[2-[4-[2-(2-oxo-6,8-disulfonaphthalen-1-ylidene)hydrazinyl]phenoxy]ethoxy]ethoxy]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid|7-Hydroxy-8-[[4-[2-[2-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenoxy]ethoxy]ethoxy]phenyl]diazenyl]naphthalene-1,3-disulfonic acid

CAS: 7401-45-8
Molecular Formula C36H30N4O17S4
Molecular Weight 918.0489 g/mol
LogP 4.3
Topological Polar Surface Area 369.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 21
Rotatable Bonds 16
Exact Mass 918.0489
Monoisotopic Mass 918.0489
Heavy Atoms 61
Complexity 1950.0

Chemical Identifiers

CAS Number 7401-45-8
SMILES C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)OCCOCCOC4=CC=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)O)S(=O)(=O)O)O
InChIKey OLQGZZBEPBRRDN-UHFFFAOYSA-N

Product Overview

AC1OB3BK (CAS 7401-45-8), with molecular formula C36H30N4O17S4 and molecular weight 918.0489 g/mol. IUPAC: 7-hydroxy-8-[[4-[2-[2-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenoxy]ethoxy]ethoxy]phenyl]diazenyl]naphthalene-1,3-disulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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