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

MSDS COA Spec Sheet

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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

H-Bond Donor

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 Å².

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.