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127274-91-3

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Basic Information
CAS No.: 127274-91-3
Name: 1,1'-DIOCTADECYL-3,3,3',3'-TETRAMETHYLINDODICARBOCYANINE PERCHLORATE
Molecular Structure:
Molecular Structure of 127274-91-3 (1,1'-DIOCTADECYL-3,3,3',3'-TETRAMETHYLINDODICARBOCYANINE PERCHLORATE)
Formula: C61H99ClN2O4
Molecular Weight: 959.9
Synonyms: 3H-INDOLIUM, 2-[5-(1,3-DIHYDRO-3,3-DIMETHYL-1-OCTADECYL-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-3,3-DIMETHYL-1-OCTADECYL-, PERCHLORATE;2-[(1E,3E)-5-(3,3-DIMETHYL-1-OCTADECYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-3,3-DIMETHYL-1-OCTADECYL-3H-INDOLIUM PERCHLORATE;1,1-DIOCTADECYL-3,3,3,3-TETRAMETHYLINDODICARBOCYANINE PERCHLORATE;DILC18(5);DIIC18(5);DIIC18(5) OIL;DID OIL;DID
Safety: 24/25
PSA: 80.52000
LogP: 19.61800
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Specification

The 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindodicarbocyanine perchlorate with its cas register number is 127274-91-3. The Systematic name about this chemical is 2-[(1Z,3Z,5E)-5-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate. When you are using it, please avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]Cl(=O)(=O)=O.c1cccc4c1C(C(=C\C=C/C=C\C3=[N+](\c2ccccc2C3(C)C)CCCCCCCCCCCCCCCCCC)/N4CCCCCCCCCCCCCCCCCC)(C)
(2)InChI: InChI=1/C61H99N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-52-62-56-48-42-40-46-54(56)60(3,4)58(62)50-38-37-39-51-59-61(5,6)55-47-41-43-49-57(55)63(59)53-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-43,46-51H,7-36,44-45,52-53H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
(3)InChIKey: ZQSBJPAQPRVNHU-REWHXWOFAE
(4)Std. InChI: InChI=1S/C61H99N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-52-62-56-48-42-40-46-54(56)60(3,4)58(62)50-38-37-39-51-59-61(5,6)55-47-41-43-49-57(55)63(59)53-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-43,46-51H,7-36,44-45,52-53H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
(5)Std. InChIKey: ZQSBJPAQPRVNHU-UHFFFAOYSA-M