Benzoxazolium,3-propyl-2-[3-(3-propyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1) (53213-79-9)

The CAS register number of 3,3'-Dipropyloxacarbocyanine iodide is 53213-79-9. It also can be called as 3-Propyl-2-[3-[3-propyl-2(3H)-benzoxazolylidene]-1-propenyl]benzoxazolium iodide and the systematic name about this chemical is 3-propyl-2-[(1E,3E)-3-(3-propyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide. The molecular formula about this chemical is C₂₃H₂₅N₂O₂^.I and the molecular weight is 488.36.

Physical properties about 3,3'-Dipropyloxacarbocyanine iodide are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 6; (3)Polar Surface Area: 29.49Ų.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [I-].O\1c4ccccc4N(C/1=C/C=C/c3oc2ccccc2[n+]3CCC)CCC
(2)InChI: InChI=1/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: LWWWYHFXRJVZBL-REWHXWOFAH
(4)Std. InChI: InChI=1S/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: LWWWYHFXRJVZBL-UHFFFAOYSA-M