Benzoic acid,2-[3,6-bis(acetyloxy)-9H-xanthen-9-yl]- (35340-49-9)

The Dihydrofluorescein diacetate with cas registry number of 35340-49-9, has the systematic name of 2-[3,6-bis(acetyloxy)-9H-xanthen-9-yl]benzoic acid. And its IUPAC name is the same one. Besides this, it is also named benzoic acid, 2-[3,6-bis(acetyloxy)-9H-xanthen-9-yl]-. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 4.81; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.5; (8)ACD/KOC (pH 7.4): 1.6; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 88.13 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 109.45 cm³; (15)Molar Volume: 309 cm³; (16)Polarizability: 43.39×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Enthalpy of Vaporization: 87.9 kJ/mol; (19)Vapour Pressure: 4.01E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1C3c4c(Oc2c3ccc(OC(=O)C)c2)cc(OC(=O)C)cc4
(2)InChI: InChI=1/C24H18O7/c1-13(25)29-15-7-9-19-21(11-15)31-22-12-16(30-14(2)26)8-10-20(22)23(19)17-5-3-4-6-18(17)24(27)28/h3-12,23H,1-2H3,(H,27,28)
(3)InChIKey: YKSJJXGQHSESKB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C24H18O7/c1-13(25)29-15-7-9-19-21(11-15)31-22-12-16(30-14(2)26)8-10-20(22)23(19)17-5-3-4-6-18(17)24(27)28/h3-12,23H,1-2H3,(H,27,28)
(5)Std. InChIKey: YKSJJXGQHSESKB-UHFFFAOYSA-N