(E)-6-(7-ethyl-6-methoxy-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(7-ethyl-6-methoxy-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(7-ethyl-4-hydroxy-6-methoxy-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(7-ethyl-4-hydroxy-6-methoxy-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(7-ethyl-4-hydroxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(7-ethyl-4-hydroxy-3-keto-6-methoxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C18H22O6 MolecularWeight: 334.36368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC

Isomeric SMILES

CCC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O)OC

InChI

InChI=1S/C18H22O6/c1-4-11-13-9-24-18(22)15(13)16(21)12(17(11)23-3)7-5-10(2)6-8-14(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+