[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enoxy]methylphosphonic acid

Systemtic Name: [(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enoxy]methylphosphonic acid Openeye Name: [(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enoxy]methylphosphonic acid CAS Name: [(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enoxy]methylphosphonic acid IUPAC Name: [(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enoxy]methylphosphonic acid Traditional Name: [(E)-4-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-2-methyl-but-2-enoxy]methylphosphonic acid Formula: C17H23O7P MolecularWeight: 370.334081

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)COCP(=O)(O)O)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(\C)/COCP(=O)(O)O)O)C(=O)OC2)C

InChI

InChI=1S/C17H23O7P/c1-4-12-11(3)14-8-24-17(19)15(14)16(18)13(12)6-5-10(2)7-23-9-25(20,21)22/h5,18H,4,6-9H2,1-3H3,(H2,20,21,22)/b10-5+