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Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate
CAS
93940-50-2
Catalog Number
ACM93940502
Category
Other Products
Molecular Weight
446.408370 [g/mol]
Molecular Formula
C21H16N2O6SNa
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Specification
Synonyms
EINECS 300-446-9, CID3022976, Sodium 4-((4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonate, 93940-50-2
IUPAC Name
sodium 2-[(4-amino-3-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate
Canonical SMILES
CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)O)S(=O)(=O)[O-].[Na+]
InChI Key
YGJIKHLXGNXSOL-UHFFFAOYSA-M
EC Number
300-446-9
Exact Mass
446.05500
H-Bond Acceptor
8
H-Bond Donor
3
What is the molecular formula of Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate?
The molecular formula is C21H15N2NaO6S.
When was Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate created?
It was created on February 5, 2008.
What is the molecular weight of Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate?
The molecular weight is 446.4 g/mol.
What is the IUPAC name of Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate?
The IUPAC name is sodium;2-[(4-amino-3-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate.
What is the Canonical SMILES of Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate?
The Canonical SMILES is CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)O)S(=O)(=O)[O-].[Na+].
What is the CAS number of Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate?
The CAS number is 93940-50-2.
How many hydrogen bond donor counts does Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate have?
It has 3 hydrogen bond donor counts.
What is the exact mass of Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate?
The exact mass is 446.05485166 g/mol.
Is Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate a canonicalized compound?
Yes, it is a canonicalized compound.
How many rotatable bond counts does Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulfonate have?
It has 3 rotatable bond counts.
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