4-[3-(4-Hydroxy-5-Isopropyl-2-Methylphenyl)-1,1-Dioxido-3H-2,1-Benzoxathiol-3-Yl]-2-Isopropyl-5-Methylphenyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H31O8PS
IUPAC Name [4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
Molecular Mass 546.569 g·mol−1
Heat of Formation -1280.4 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 604.68 Å 3
Surface Area 444.2 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey VCCIAAPOKIZVON-MHZLTWQESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P S C O H