IUPAC Name :[(2E)-2-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
InChI :InChI=1/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13-,20-14+
Std.InChI: InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13-,20-14+
InChIKey :HEAHZSUCFKFERC-LRVMPXQBBG
Std.InChIKey: HEAHZSUCFKFERC-LRVMPXQBSA-N
SMILES :CC1(C\2CCC1(C(=O)/C2=C/C3=CC=C(C=C3)/C=C\4/C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C
Molar Refractivity :140.74 ± 0.4 cm3 (est)
Parachor :1117.9 ± 6.0 cm3 (est)
Index of Refraction :1.630 ± 0.02
(est)
Surface Tension :64.0 ± 3.0 dyne/cm (est)
Density :1.424 ± 0.06 g/cm3 (est)
Polarizability :55.79 ± 0.5 10-24cm3 (est)