sodium 5,5-bis(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)pentanoate

Systemtic Name: sodium 5,5-bis(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)pentanoate Openeye Name: sodium 5,5-bis(5-tert-butyl-4-hydroxy-2-methyl-phenyl)pentanoate CAS Name: sodium 5,5-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)pentanoate IUPAC Name: sodium 5,5-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)pentanoate Traditional Name: sodium 5,5-bis(5-tert-butyl-4-hydroxy-2-methyl-phenyl)valerate Formula: C27H37NaO4 MolecularWeight: 448.57005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(CCCC(=O)[O-])C2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1C(CCCC(=O)[O-])C2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O.[Na+]

InChI

InChI=1S/C27H38O4.Na/c1-16-12-23(28)21(26(3,4)5)14-19(16)18(10-9-11-25(30)31)20-15-22(27(6,7)8)24(29)13-17(20)2;/h12-15,18,28-29H,9-11H2,1-8H3,(H,30,31);/q;+1/p-1