IUPAC Name :(2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
InChI :InChI=1/C20H33NO3S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-25-14-19(20(23)24)21-18(5)22/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3,(H,21,22)(H,23,24)/b16-10+,17-12+/t19-/m0/s1
Std.InChI: InChI=1S/C20H33NO3S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-25-14-19(20(23)24)21-18(5)22/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3,(H,21,22)(H,23,24)/b16-10+,17-12+/t19-/m0/s1
InChIKey :XTURYZYJYQRJDO-BNAHBJSTBA
Std.InChIKey: XTURYZYJYQRJDO-BNAHBJSTSA-N
SMILES :CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)NC(=O)C)/C)/C)C
MDL: MFCD00871540
Molar Refractivity :107.21 ± 0.5 cm3 (est)
Parachor :875.2 ± 8.0 cm3 (est)
Index of Refraction :1.505 ± 0.05
(est)
Surface Tension :34.4 ± 7.0 dyne/cm (est)
Density :1.01 ± 0.1 g/cm3 (est)
Polarizability :42.50 ± 0.5 10-24cm3 (est)