InChI :InChI=1/C90H53NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-95-29-24-23-28(26-30(29)94-2)27-91-88-83-75-67-56-47-39-37-31-32-34-36-35-33(31)40-41(37)49-53(47)64-69-59(49)58-48(40)51-44(35)52-45(36)54-50-43(34)46-38(32)42(39)55(56)60-57(46)66-61(50)73-65(54)71-63(52)70-62(51)68(58)77-78(69)86(81(83)72(64)67)89(92)85(77)79(70)80(71)87(90(91)93)82(73)84(88)76(66)74(60)75/h23-24,26H,3-22,25,27H2,1-2H3
Std.InChI: InChI=1S/C90H53NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-95-29-24-23-28(26-30(29)94-2)27-91-88-83-75-67-56-47-39-37-31-32-34-36-35-33(31)40-41(37)49-53(47)64-69-59(49)58-48(40)51-44(35)52-45(36)54-50-43(34)46-38(32)42(39)55(56)60-57(46)66-61(50)73-65(54)71-63(52)70-62(51)68(58)77-78(69)86(81(83)72(64)67)89(92)85(77)79(70)80(71)87(90(91)93)82(73)84(88)76(66)74(60)75/h23-24,26H,3-22,25,27H2,1-2H3
InChIKey :AQKPPGWPERFFEN-UHFFFAOYAE
Std.InChIKey: AQKPPGWPERFFEN-UHFFFAOYSA-N
SMILES :CCCCCCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN2C3=C4C5=C6C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%10C9=C9C7=C7C5=C5C4=C4C%10=C%15C%16=C%17C(=C%12C%12=C%11C%11=C1C1=C8C6=C3C3=C1C%11=C1C%12=C%17C(=C%15C4=O)C1=C3C2=O)C1=C%16C2=C3C(=C%131)C%14=C9C7=C3C5=C2%10)OC
Molar Refractivity :365.40 ± 0.4 cm3 (est)
Parachor :2268.0 ± 6.0 cm3 (est)
Index of Refraction :2.107 ± 0.03
(est)
Surface Tension :120.9 ± 5.0 dyne/cm (est)
Density :1.77 ± 0.1 g/cm3 (est)
Polarizability :144.85 ± 0.5 10-24cm3 (est)