6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl 3-phenylpropanoate

Systemtic Name: 6-[(4-oxidanylidene-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl 3-phenylpropanoate Openeye Name: 6-(4-oxo-8-propyl-chroman-7-yl)oxyhexyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 6-[(4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]hexyl ester IUPAC Name: 6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 6-(4-keto-8-propyl-chroman-7-yl)oxyhexyl ester Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCOC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCOC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H34O5/c1-2-10-23-25(15-14-22-24(28)17-20-32-27(22)23)30-18-8-3-4-9-19-31-26(29)16-13-21-11-6-5-7-12-21/h5-7,11-12,14-15H,2-4,8-10,13,16-20H2,1H3