CAS
97259-84-2 Purity
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97259-84-2 Purity
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Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate
CAS
97259-91-1
Catalog Number
ACM97259911
Category
Other Products
Molecular Weight
431.433320 [g/mol]
Molecular Formula
C16H15N3O7SCa
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Specification
Synonyms
EINECS 306-455-4, CID3024807, Calcium 2-(((4-(((((oxidomethyl)amino)carbonyl)amino)sulphonyl)phenyl)amino)carbonyl)benzoate, 97259-91-1
IUPAC Name
calcium 2-[[4-(oxidomethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate
InChI Key
MPSSWSPZVSQBNX-UHFFFAOYSA-M
Exact Mass
431.01000
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate?
The molecular formula is C16H13CaN3O7S.
What is the molecular weight of Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate?
The molecular weight is 431.4 g/mol.
What are some synonyms for Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate?
Synonyms include 97259-91-1 and Calcium 2-(((4-(((((oxidomethyl)amino)carbonyl)amino)sulphonyl)phenyl)amino)carbonyl)benzoate.
What is the IUPAC name of Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate?
The IUPAC name is calcium;2-[[4-(oxidomethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate.
What is the Canonical SMILES representation of Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate?
The Canonical SMILES representation is C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC[O-])C(=O)[O-].[Ca+2].
What is the CAS number for Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate?
The CAS number is 97259-91-1.
How many hydrogen bond donor counts does Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate have?
It has 3 hydrogen bond donor counts.
What is the topological polar surface area of Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate?
The topological polar surface area is 176 Ų.
Does Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate have any defined atom stereocenter count?
No, it has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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