(7S,8S)-7,8,9,10-Tetrahydrobenzo[F]Quinoline-7,8-Diyl Dibenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H21NO4
IUPAC Name [(7s,8s)-7-benzoyloxy-7,8,9,10-tetrahydrobenzo[f]quinolin-8-yl] benzoate
Molecular Mass 423.460 g·mol−1
Heat of Formation -314.4 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 495.01 Å 3
Surface Area 412.26 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(7s,8s)-7-(benzoyloxy)-7,8,9,10-tetrahydrobenzo[f]quinolin-8-yl] benzoate
  • [(7s,8s)-7-phenylcarbonyloxy-7,8,9,10-tetrahydrobenzo[f]quinolin-8-yl] benzoate
  • benzoic acid [(7s,8s)-7-(benzoyloxy)-7,8,9,10-tetrahydrobenzo[f]quinolin-8-yl] ester
  • benzoic acid [(7s,8s)-7-(oxo-phenylmethoxy)-7,8,9,10-tetrahydrobenzo[f]quinolin-8-yl] ester
CAS Number(s)
  • 103620-23-1
InChIKey LWLZRXSNANBADU-DQEYMECFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N