Structure

IR-786 perchlorate

CAS
102185-03-5
Catalog Number
ACM102185035
Category
Photonic and Optical Device
Molecular Weight
583.54
Molecular Formula
C32H36Cl2N2O4

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Specification

Synonyms
2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimet;2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indoliu
Density
g/cm³
What is the molecular formula of IR-786 perchlorate?

The molecular formula of IR-786 perchlorate is C32H36Cl2N2O4.

What is the molecular weight of IR-786 perchlorate?

The molecular weight of IR-786 perchlorate is 583.5 g/mol.

What are some synonyms for IR-786 perchlorate?

Some synonyms for IR-786 perchlorate include AKOS000813928 and CS-0435250.

When was IR-786 perchlorate created and last modified?

IR-786 perchlorate was created on February 9, 2007, and last modified on December 30, 2023.

What is the IUPAC name of IR-786 perchlorate?

The IUPAC name of IR-786 perchlorate is (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;perchlorate.

What is the Canonical SMILES representation of IR-786 perchlorate?

The Canonical SMILES representation of IR-786 perchlorate is CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[O-]Cl(=O)(=O)=O.

How many hydrogen bond acceptor counts does IR-786 perchlorate have?

IR-786 perchlorate has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of IR-786 perchlorate?

The topological polar surface area of IR-786 perchlorate is 80.5 Ų.

How many defined bond stereocenter counts does IR-786 perchlorate have?

IR-786 perchlorate has 3 defined bond stereocenter counts.

Is IR-786 perchlorate a canonicalized compound?

Yes, IR-786 perchlorate is a canonicalized compound according to PubChem.

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