IUPAC Name :3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
InChI :InChI=1/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
Std.InChI: InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
InChIKey :JHEWMLHQNRHTQX-UHFFFAOYAS
Std.InChIKey: JHEWMLHQNRHTQX-UHFFFAOYSA-N
SMILES :CCCCCc1c(c(cc2c1Oc3cc(cc(c3C(=O)O2)C(=O)CCCC)OC)O)C(=O)O
MDL: MFCD00597234
Molar Refractivity :120.00 ± 0.3 cm3 (est)
Parachor :966.8 ± 6.0 cm3 (est)
Index of Refraction :1.579 ± 0.02
(est)
Surface Tension :51.6 ± 3.0 dyne/cm (est)
Density :1.265 ± 0.06 g/cm3 (est)
Polarizability :47.57 ± 0.5 10-24cm3 (est)