2-(6-methylhepta-1,5-dien-2-yl)-4-oxidanyl-6-phenethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-(6-methylhepta-1,5-dien-2-yl)-4-oxidanyl-6-phenethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid Openeye Name: 4-hydroxy-2-(5-methyl-1-methylene-hex-4-enyl)-6-phenethyl-2,3-dihydrobenzofuran-5-carboxylic acid CAS Name: 4-hydroxy-2-(6-methylhepta-1,5-dien-2-yl)-6-phenethyl-2,3-dihydrobenzofuran-5-carboxylic acid IUPAC Name: 4-hydroxy-2-(6-methylhepta-1,5-dien-2-yl)-6-phenethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid Traditional Name: 4-hydroxy-2-(5-methyl-1-methylene-hex-4-enyl)-6-phenethyl-coumaran-5-carboxylic acid Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=C)C1CC2=C(O1)C=C(C(=C2O)C(=O)O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC(=CCCC(=C)C1CC2=C(O1)C=C(C(=C2O)C(=O)O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C25H28O4/c1-16(2)8-7-9-17(3)21-15-20-22(29-21)14-19(23(24(20)26)25(27)28)13-12-18-10-5-4-6-11-18/h4-6,8,10-11,14,21,26H,3,7,9,12-13,15H2,1-2H3,(H,27,28)