CAS
93939-88-9 Purity
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93939-88-9 Purity
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Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate
CAS
93939-97-0
Catalog Number
ACM93939970
Category
Other Products
Molecular Weight
481.371350 [g/mol]
Molecular Formula
C18H13N5O8SNa
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Specification
Synonyms
EINECS 300-388-4, CID6366306, Sodium 3-((2,4-dihydroxy-3-((4-nitrophenyl)azo)phenyl)azo)-4-hydroxybenzenesulphonate, 93939-97-0
IUPAC Name
sodium 4-hydroxy-3-[(2E)-2-[(5Z)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate
Canonical SMILES
C1=CC(=CC=C1NN=C2C(=O)C=CC(=NNC3=C(C=CC(=C3)S(=O)(=O)[O-])O)C2=O)[N+](=O)[O-].[Na+]
InChI Key
PFGJPUCSTAEOOR-GHIVDBPDSA-M
EC Number
300-388-4
H-Bond Acceptor
12
H-Bond Donor
3
What is the molecular formula of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The molecular formula is C18H12N5NaO8S.
What is the molecular weight of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The molecular weight is 481.4 g/mol.
What is the IUPAC name of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The IUPAC name is sodium;4-hydroxy-3-[(2E)-2-[(5Z)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate.
What is the InChI code of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The InChI code is InChI=1S/C18H13N5O8S.Na/c24-15-7-5-12(32(29,30)31)9-14(15)21-20-13-6-8-16(25)17(18(13)26)22-19-10-1-3-11(4-2-10)23(27)28;/h1-9,19,21,24H,(H,29,30,31);/q;+1/p-1/b20-13+,22-17-.
What is the canonical SMILES of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The canonical SMILES is C1=CC(=CC=C1NN=C2C(=O)C=CC(=NNC3=C(C=CC(=C3)S(=O)(=O)[O-])O)C2=O)[N+](=O)[O-].[Na+].
What is the CAS number of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The CAS number is 93939-97-0.
What is the European Community (EC) number of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The EC number is 300-388-4.
What is the hydrogen bond donor count of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The hydrogen bond donor count is 3.
What is the hydrogen bond acceptor count of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The hydrogen bond acceptor count is 12.
What is the rotatable bond count of Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulfonate?
The rotatable bond count is 4.
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