CAS 155614-01-0 IR-1061 - Materials / Alfa Chemistry

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IR-1061

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Catalog Number

ACM155614010

Product Name

IR-1061

CAS

155614-01-0

Category

Other Materials

IUPAC Name

4-[(E)-2-[(3Z)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;tetrafluoroborate

Molecular Weight

749.1g/mol

Molecular Formula

C44H34BClF4S2

Canonical SMILES

[B-](F)(F)(F)F.C1CC(=C(C(=CC=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C1)Cl)C=CC5=CC(=[S+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H34ClS2.BF4/c45-44-38(26-24-32-28-40(34-14-5-1-6-15-34)46-41(29-32)35-16-7-2-8-17-35)22-13-23-39(44)27-25-33-30-42(36-18-9-3-10-19-36)47-43(31-33)37-20-11-4-12-21-37;2-1(3,4)5/h1-12,14-21,24-31H,13,22-23H2;/q+1;-1

InChI Key

QRLZQHNDSCIJTI-UHFFFAOYSA-N

Complexity

1090

Covalently-Bonded Unit Count

Exact Mass

748.181964g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

748.181964g/mol

Rotatable Bond Count