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75664-03-8

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Basic Information
CAS No.: 75664-03-8
Name: 1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium iodide
Molecular Structure:
Molecular Structure of 75664-03-8 (1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium iodide)
Formula: C63H105IN2
Molecular Weight: 1017.43
Synonyms: 3H-Indolium,1-eicosyl-2-[3-(1-eicosyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-,iodide (9CI);
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Specification

The 1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium iodide is an organic compound with the formula C63H105IN2. The systematic name of this chemical is 1-icosyl-2-[(E,3E)-3-(1-icosyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium iodide. With the CAS registry number 75664-03-8, it is also named as 3H-Indolium, 1-eicosyl-2-[3-(1-eicosyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-, iodide (9CI).

Physical properties about 1-Icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3H-indolium iodide are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 40.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCCCCCN1c2ccccc2C(C1=CC=CC3=[N+](c4ccccc4C3(C)C)CCCCCCCCCCCCCCCCCCCC)(C)C.[I-]
(2)InChI: InChI=1/C63H105N2.HI/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-54-64-58-50-43-41-48-56(58)62(3,4)60(64)52-47-53-61-63(5,6)57-49-42-44-51-59(57)65(61)55-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h41-44,47-53H,7-40,45-46,54-55H2,1-6H3;1H/q+1;/p-1
(3)InChIKey: HYAQYOMLSLHWLM-REWHXWOFAG
(4)Std. InChI: InChI=1S/C63H105N2.HI/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-54-64-58-50-43-41-48-56(58)62(3,4)60(64)52-47-53-61-63(5,6)57-49-42-44-51-59(57)65(61)55-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h41-44,47-53H,7-40,45-46,54-55H2,1-6H3;1H/q+1;/p-1
(5)Std. InChIKey: HYAQYOMLSLHWLM-UHFFFAOYSA-M