sodium 2-[3-tert-butyl-2-[[2-tert-butyl-6-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-phosphonooxy-phenyl]methyl]-4-oxidanyl-phenyl]-2-methyl-propanoic acid

Systemtic Name: sodium 2-[3-tert-butyl-2-[[2-tert-butyl-6-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-phosphonooxy-phenyl]methyl]-4-oxidanyl-phenyl]-2-methyl-propanoic acid Openeye Name: sodium 2-[3-tert-butyl-2-[[2-tert-butyl-6-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-3-phosphonooxy-phenyl]methyl]-4-hydroxy-phenyl]-2-methyl-propanoic acid CAS Name: sodium 2-[3-tert-butyl-2-[[2-tert-butyl-6-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-3-phosphonooxyphenyl]methyl]-4-hydroxyphenyl]-2-methylpropanoic acid IUPAC Name: sodium 2-[3-tert-butyl-2-[[2-tert-butyl-6-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-3-phosphonooxyphenyl]methyl]-4-hydroxyphenyl]-2-methylpropanoic acid Traditional Name: sodium 2-[3-tert-butyl-2-[[2-tert-butyl-6-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-3-phosphonooxy-phenyl]methyl]-4-hydroxy-phenyl]-2-methyl-propionic acid Formula: C29H40NaO9P MolecularWeight: 586.586031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1[CH-]C2=C(C=CC(=C2C(C)(C)C)OP(=O)(O)O)C(C)(C)C(=O)O)C(C)(C)C(=O)O)O.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1[CH-]C2=C(C=CC(=C2C(C)(C)C)OP(=O)(O)O)C(C)(C)C(=O)O)C(C)(C)C(=O)O)O.[Na+]

InChI

InChI=1S/C29H40O9P.Na/c1-26(2,3)22-16(18(11-13-20(22)30)28(7,8)24(31)32)15-17-19(29(9,10)25(33)34)12-14-21(38-39(35,36)37)23(17)27(4,5)6;/h11-15,30H,1-10H3,(H,31,32)(H,33,34)(H2,35,36,37);/q-1;+1