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

Systemtic Name: disodium 3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one Openeye Name: disodium 3,3-bis(4-hydroxy-5-isopropyl-2-methyl-phenyl)isobenzofuran-1-one CAS Name: disodium 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone IUPAC Name: disodium 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one Traditional Name: disodium thymolphthalein Formula: C28H30Na2O4+2 MolecularWeight: 476.51494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O.[Na+].[Na+]

InChI

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