hex-5-enyl 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: hex-5-enyl 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate Openeye Name: hex-5-enyl 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-benzofuran-3-carboxylate CAS Name: 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-3-benzofurancarboxylic acid hex-5-enyl ester IUPAC Name: hex-5-enyl 2-(4-tert-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-7-methoxy-5-methylol-benzofuran-3-carboxylic acid hex-5-enyl ester Formula: C27H32O5 MolecularWeight: 436.53998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=CC(=CC(=C3O2)OC)CO)C(=O)OCCCCC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=CC(=CC(=C3O2)OC)CO)C(=O)OCCCCC=C

InChI

InChI=1S/C27H32O5/c1-6-7-8-9-14-31-26(29)23-21-15-18(17-28)16-22(30-5)25(21)32-24(23)19-10-12-20(13-11-19)27(2,3)4/h6,10-13,15-16,28H,1,7-9,14,17H2,2-5H3