Tin ii 2,3-naphthalocyanine

• CAS: 110479-58-8
• Catalog Number: ACM110479588
• Category: Organic & Printed Electronics
• Molecular Weight: 831.5g/mol
• Molecular Formula: C48H24N8Sn
• 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
• 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: 1
• Exact Mass: 832.114595g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 57
• Monoisotopic Mass: 832.114595g/mol
• Rotatable Bond Count: 0