CAS 110479-58-8 Tin ii 2,3-naphthalocyanine - Materials / Alfa Chemistry

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Tin ii 2,3-naphthalocyanine

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Catalog Number

ACM110479588

Product Name

Tin ii 2,3-naphthalocyanine

Structure

CAS

110479-58-8

Category

Other Materials

Synonyms

TIN II 2,3-NAPHTHALOCYANINE

IUPAC Name

13,26,39,52,53,55,56,57-octaza-54ж╦2-stannatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene

Molecular Weight

831.5g/mol

Molecular Formula

C48H24N8Sn

Canonical SMILES

C1=CC=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C8N5[Sn]N9C(=NC3=N4)C1=CC2=CC=CC=C2C=C1C9=NC1=NC(=N8)C2=CC3=CC=CC=C3C=C21

InChI

InChI=1S/C48H24N8.Sn/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41;/h1-24H;/q-2;+2

InChI Key

SCYVSSHNBKWAKE-UHFFFAOYSA-N

Complexity

1630

Covalently-Bonded Unit Count

Exact Mass

832.114595g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

832.114595g/mol

Rotatable Bond Count