Bis((4-(2-bromo-1-(5-bromo-2-thienyl)-2-phenylvinyl)phenoxy)acetato-O1,O2)zinc

Name: Bis((4-(2-bromo-1-(5-bromo-2-thienyl)-2-phenylvinyl)phenoxy)acetato-O1,O2)zinc
SKU: ACM93919405
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CAS

93919-40-5

Catalog Number

ACM93919405

Category

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What is the molecular formula of the compound?

The molecular formula of the compound is C40H28Br4O6S2Zn.

What is the synonym for the compound?

The synonym for the compound is Bis((4-(2-bromo-1-(5-bromo-2-thienyl)-2-phenylvinyl)phenoxy)acetato-O1,O2)zinc.

What is the computed IUPAC name of the compound?

The computed IUPAC name of the compound is 2-[4-[(E)-2-bromo-1-(5-bromothiophen-2-yl)-2-phenylethenyl]phenoxy]acetic acid;zinc.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/2C20H14Br2O3S.Zn/c2*21-17-11-10-16(26-17)19(20(22)14-4-2-1-3-5-14)13-6-8-15(9-7-13)25-12-18(23)24;/h2*1-11H,12H2,(H,23,24);/b2*20-19+.

What is the InChIKey of the compound?

The InChIKey of the compound is NDQJJAVRWVRWRH-FFRZOONGSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OCC(=O)O)C3=CC=C(S3)Br)Br.C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OCC(=O)O)C3=CC=C(S3)Br)Br.[Zn].

What is the CAS number of the compound?

The CAS number of the compound is 93919-40-5.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 2.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 8.

What is the rotatable bond count of the compound?

The rotatable bond count of the compound is 12.

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