2-[(E)-3-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl]-3-methyl-benzoic acid

Systemtic Name: 2-[(E)-3-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl]-3-methyl-benzoic acid Openeye Name: 2-[(E)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl]-3-methyl-benzoic acid CAS Name: 2-[(E)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl]-3-methylbenzoic acid IUPAC Name: 2-[(E)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)prop-1-enyl]-3-methylbenzoic acid Traditional Name: 2-[(E)-3-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)prop-1-enyl]-3-methyl-benzoic acid Formula: C22H22O5 MolecularWeight: 366.40708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=CC3=C(C=CC=C3C)C(=O)O)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C/C3=C(C=CC=C3C)C(=O)O)O)C(=O)OC2)C

InChI

InChI=1S/C22H22O5/c1-4-14-13(3)18-11-27-22(26)19(18)20(23)16(14)9-6-8-15-12(2)7-5-10-17(15)21(24)25/h5-8,10,23H,4,9,11H2,1-3H3,(H,24,25)/b8-6+