magnesium 3,3-bis(5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-2-benzofuran-1-one phosphate

Systemtic Name: magnesium 3,3-bis(5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-2-benzofuran-1-one phosphate Openeye Name: magnesium 3,3-bis(4-hydroxy-2-isopropyl-5-methyl-phenyl)isobenzofuran-1-one phosphate CAS Name: magnesium 3,3-bis(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-1-isobenzofuranone phosphate IUPAC Name: magnesium 3,3-bis(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-2-benzofuran-1-one phosphate Traditional Name: magnesium 3,3-bis(4-hydroxy-2-isopropyl-5-methyl-phenyl)phthalide phosphate Formula: C28H30MgO8P- MolecularWeight: 549.811761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C(C)C)O)C)C(C)C)O.[O-]P(=O)([O-])[O-].[Mg+2]

Isomeric SMILES

CC1=C(C=C(C(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C(C)C)O)C)C(C)C)O.[O-]P(=O)([O-])[O-].[Mg+2]

InChI

InChI=1S/C28H30O4.Mg.H3O4P/c1-15(2)20-13-25(29)17(5)11-23(20)28(22-10-8-7-9-19(22)27(31)32-28)24-12-18(6)26(30)14-21(24)16(3)4;;1-5(2,3)4/h7-16,29-30H,1-6H3;;(H3,1,2,3,4)/q;+2;/p-3