IUPAC Name :3-[(E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
InChI :InChI=1/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2+
Std.InChI: InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2+
InChIKey :ITENTBHADJNDDH-DUXPYHPUBU
Std.InChIKey: ITENTBHADJNDDH-DUXPYHPUSA-N
SMILES :C1C(C(C(CC1(C(=O)O)O)OC(=O)/C=C/C2=CC(=O)C(=O)C=C2)O)O
Molar Refractivity :79.83 ± 0.4 cm3 (est)
Parachor :670.2 ± 6.0 cm3 (est)
Index of Refraction :1.644 ± 0.03
(est)
Surface Tension :85.4 ± 5.0 dyne/cm (est)
Density :1.59 ± 0.1 g/cm3 (est)
Polarizability :31.65 ± 0.5 10-24cm3 (est)