(+)-cis-12-oxo-phytodienoic acid

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IUPAC Name :8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
InChI :InChI=1/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
Std.InChI: InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
InChIKey :PMTMAFAPLCGXGK-JMTMCXQRBW
Std.InChIKey: PMTMAFAPLCGXGK-JMTMCXQRSA-N
SMILES :O=C1\C=C/[C@H](CCCCCCCC(=O)O)[C@@H]1C\C=C/CC
Molar Refractivity :84.76 ± 0.3 cm3 (est)
Parachor :720.0 ± 6.0 cm3 (est)
Index of Refraction :1.495 ± 0.02 (est)
Surface Tension :37.7 ± 3.0 dyne/cm (est)
Density :1.006 ± 0.06 g/cm3 (est)
Polarizability :33.60 ± 0.5 10-24cm3 (est)