dihexyl (3-oxidanylidene-1,2-dihydroinden-4-yl) phosphate

Systemtic Name: dihexyl (3-oxidanylidene-1,2-dihydroinden-4-yl) phosphate Openeye Name: dihexyl (3-oxoindan-4-yl) phosphate CAS Name: phosphoric acid dihexyl (3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: dihexyl (3-oxo-1,2-dihydroinden-4-yl) phosphate Traditional Name: phosphoric acid dihexyl (3-ketoindan-4-yl) ester Formula: C21H33O5P MolecularWeight: 396.457481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=O)(OCCCCCC)OC1=CC=CC2=C1C(=O)CC2

Isomeric SMILES

CCCCCCOP(=O)(OCCCCCC)OC1=CC=CC2=C1C(=O)CC2

InChI

InChI=1S/C21H33O5P/c1-3-5-7-9-16-24-27(23,25-17-10-8-6-4-2)26-20-13-11-12-18-14-15-19(22)21(18)20/h11-13H,3-10,14-17H2,1-2H3