sodium 2-[4-chloranyl-3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]phenoxy]-2-methyl-propanoate

Systemtic Name: sodium 2-[4-chloranyl-3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]phenoxy]-2-methyl-propanoate Openeye Name: sodium 2-[4-chloro-3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]phenoxy]-2-methyl-propanoate CAS Name: sodium 2-[4-chloro-3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]phenoxy]-2-methylpropanoate IUPAC Name: sodium 2-[4-chloro-3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]phenoxy]-2-methylpropanoate Traditional Name: sodium 2-[4-chloro-3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]phenoxy]-2-methyl-propionate Formula: C27H36ClNaO4 MolecularWeight: 483.01511

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1)OC(C)(C)C(=O)[O-])Cl)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.[Na+]

Isomeric SMILES

CC(CC1=C(C=CC(=C1)OC(C)(C)C(=O)[O-])Cl)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.[Na+]

InChI

InChI=1S/C27H37ClO4.Na/c1-16(12-18-13-19(10-11-22(18)28)32-27(8,9)24(30)31)17-14-20(25(2,3)4)23(29)21(15-17)26(5,6)7;/h10-11,13-16,29H,12H2,1-9H3,(H,30,31);/q;+1/p-1