(4-hexoxyphenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate

Systemtic Name: (4-hexoxyphenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: (4-hexoxyphenyl) 2-hexylchromane-6-carboxylate CAS Name: 2-hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 2-hexylchroman-6-carboxylic acid (4-hexoxyphenyl) ester Formula: C28H38O4 MolecularWeight: 438.59892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCC1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C28H38O4/c1-3-5-7-9-11-25-14-12-22-21-23(13-19-27(22)31-25)28(29)32-26-17-15-24(16-18-26)30-20-10-8-6-4-2/h13,15-19,21,25H,3-12,14,20H2,1-2H3