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

Systemtic Name: hex-5-enyl 2-(4-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate Openeye Name: hex-5-enyl 2-(4-butylphenyl)-5-(hydroxymethyl)-7-methoxy-benzofuran-3-carboxylate CAS Name: 2-(4-butylphenyl)-5-(hydroxymethyl)-7-methoxy-3-benzofurancarboxylic acid hex-5-enyl ester IUPAC Name: hex-5-enyl 2-(4-butylphenyl)-5-(hydroxymethyl)-7-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-(4-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:

CCCCC1=CC=C(C=C1)C2=C(C3=CC(=CC(=C3O2)OC)CO)C(=O)OCCCCC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C3=CC(=CC(=C3O2)OC)CO)C(=O)OCCCCC=C

InChI

InChI=1S/C27H32O5/c1-4-6-8-9-15-31-27(29)24-22-16-20(18-28)17-23(30-3)26(22)32-25(24)21-13-11-19(12-14-21)10-7-5-2/h4,11-14,16-17,28H,1,5-10,15,18H2,2-3H3