(Z)-6-(6-ethynyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-1-yl)-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-(6-ethynyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-1-yl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-1-yl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-1-yl)-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(6-ethynyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-1-yl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(6-ethynyl-4-hydroxy-3-keto-7-methyl-phthalan-1-yl)-4-methyl-hex-4-enoic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(OC(=O)C2=C(C=C1C#C)O)CC=C(C)CCC(=O)O

Isomeric SMILES

CC1=C2C(OC(=O)C2=C(C=C1C#C)O)C/C=C(/C)\CCC(=O)O

InChI

InChI=1S/C18H18O5/c1-4-12-9-13(19)17-16(11(12)3)14(23-18(17)22)7-5-10(2)6-8-15(20)21/h1,5,9,14,19H,6-8H2,2-3H3,(H,20,21)/b10-5-