6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-7-methyl-5-prop-2-enyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-7-methyl-5-prop-2-enyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-5-allyl-7-methyl-benzofuran-2-carboxylic acid CAS Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-7-methyl-5-prop-2-enyl-2-benzofurancarboxylic acid IUPAC Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-7-methyl-5-prop-2-enyl-1-benzofuran-2-carboxylic acid Traditional Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-5-allyl-7-methyl-coumarilic acid Formula: C27H30O7 MolecularWeight: 466.5229

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C3C=C(OC3=C2C)C(=O)O)CC=C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C3C=C(OC3=C2C)C(=O)O)CC=C

InChI

InChI=1S/C27H30O7/c1-5-8-18-14-19-15-23(27(30)31)34-26(19)16(3)25(18)33-13-7-12-32-22-11-10-20(17(4)28)24(29)21(22)9-6-2/h5,10-11,14-15,29H,1,6-9,12-13H2,2-4H3,(H,30,31)