IUPAC Name :[(2S,2aR,4aR,7aR,7bS)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
InChI :InChI=1/C24H29ClO6/c1-12-19(16(27)7-17(30-5)20(12)25)21(28)31-18-10-23(4)15-9-22(2,3)8-13(15)6-14(11-26)24(18,23)29/h6-7,11,13,15,18,27,29H,8-10H2,1-5H3/t13-,15+,18-,23-,24+/m0/s1
Std.InChI: InChI=1S/C24H29ClO6/c1-12-19(16(27)7-17(30-5)20(12)25)21(28)31-18-10-23(4)15-9-22(2,3)8-13(15)6-14(11-26)24(18,23)29/h6-7,11,13,15,18,27,29H,8-10H2,1-5H3/t13-,15+,18-,23-,24+/m0/s1
InChIKey :QETHRCCHQRWBIJ-RJPCOFTLBN
Std.InChIKey: QETHRCCHQRWBIJ-RJPCOFTLSA-N
SMILES :CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@H]2C[C@@]3([C@]2(C(=C[C@@H]4[C@H]3CC(C4)(C)C)C=O)O)C
Molar Refractivity :115.43 ± 0.4 cm3 (est)
Parachor :923.5 ± 6.0 cm3 (est)
Index of Refraction :1.607 ± 0.03
(est)
Surface Tension :58.3 ± 5.0 dyne/cm (est)
Density :1.34 ± 0.1 g/cm3 (est)
Polarizability :45.76 ± 0.5 10-24cm3 (est)