InChI :InChI=1/C55H30O33/c56-10-1-6-15(33(64)29(10)60)16-7(2-11(57)30(61)34(16)65)51(77)84-44-14(5-82-49(6)75)83-50(76)8-3-12(58)31(62)35(66)17(8)19-26-20(37(68)41(72)36(19)67)21-27-22(39(70)42(73)38(21)69)25(47(87-53(27)79)48(44)88-54(26)80)23-28-24-18-9(52(78)85-46(24)43(74)40(23)71)4-13(59)32(63)45(18)86-55(28)81/h1-4,14,25,44,47-48,56-74H,5H2/t14-,25+,44-,47+,48+/m1/s1
Std.InChI: InChI=1S/C55H30O33/c56-10-1-6-15(33(64)29(10)60)16-7(2-11(57)30(61)34(16)65)51(77)84-44-14(5-82-49(6)75)83-50(76)8-3-12(58)31(62)35(66)17(8)19-26-20(37(68)41(72)36(19)67)21-27-22(39(70)42(73)38(21)69)25(47(87-53(27)79)48(44)88-54(26)80)23-28-24-18-9(52(78)85-46(24)43(74)40(23)71)4-13(59)32(63)45(18)86-55(28)81/h1-4,14,25,44,47-48,56-74H,5H2/t14-,25+,44-,47+,48+/m1/s1
InChIKey :MLTBCPQCBQEVMT-AWICBSSQBQ
Std.InChIKey: MLTBCPQCBQEVMT-AWICBSSQSA-N
SMILES :C1[C@@H]2[C@H]([C@H]3[C@@H]4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8=C(C(=C9C2=C8C(=O)OC3=C2C(=CC(=C3O)O)C(=O)O9)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O
Molar Refractivity :270.97 ± 0.3 cm3 (est)
Parachor :2026.7 ± 6.0 cm3 (est)
Index of Refraction :1.898 ± 0.02
(est)
Surface Tension :145.7 ± 3.0 dyne/cm (est)
Density :2.089 ± 0.06 g/cm3 (est)
Polarizability :107.42 ± 0.5 10-24cm3 (est)