RefChem:446405 structure

RefChem:446405

5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid

Also Known As: 2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-|2,7-Naphthalenedisulfonic acid, 5-((2,4-dihydroxy-5-((4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)-|2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-5-[2-[4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-|2,7-Naphthalenedisulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-|5-((2,4-Dihydroxy-5-((4-(6-methyl-4-sulphobenzothiazol-2-yl)phenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonic acid|5-[(2,4-Dihydroxy-5-{[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl}phenyl)diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid|5-[[2,4-Dihydroxy-5-[[4-(6-methyl-4-sulfobenzothiazol-2-yl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-2,7-naphthalenedisulfonic acid|5-[2-(2,4-dihydroxy-5-{2-[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazen-1-yl}phenyl)diazen-1-yl]-4-hydroxy-3-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonic acid

CAS: 72152-66-0
Molecular Formula C36H24N8O14S4
Molecular Weight 920.0295 g/mol
LogP 6.0
Topological Polar Surface Area 410.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 22
Rotatable Bonds 10
Exact Mass 920.0295
Monoisotopic Mass 920.0295
Heavy Atoms 62
Complexity 2010.0

Chemical Identifiers

CAS Number 72152-66-0
SMILES CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(S2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4O)O)N=NC5=C6C(=CC(=C5)S(=O)(=O)O)C=C(C(=C6O)N=NC7=CC=C(C=C7)[N+](=O)[O-])S(=O)(=O)O
InChIKey HKOAIEWUIIILPI-UHFFFAOYSA-N

Product Overview

RefChem:446405 (CAS 72152-66-0), with molecular formula C36H24N8O14S4 and molecular weight 920.0295 g/mol. IUPAC: 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid.

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