sodium 5-(2-methylheptan-2-yl)-3-(7-methyloctyl)-2-oxidanyl-benzoate

Systemtic Name: sodium 5-(2-methylheptan-2-yl)-3-(7-methyloctyl)-2-oxidanyl-benzoate Openeye Name: sodium 5-(1,1-dimethylhexyl)-2-hydroxy-3-(7-methyloctyl)benzoate CAS Name: sodium 2-hydroxy-5-(2-methylheptan-2-yl)-3-(7-methyloctyl)benzoate IUPAC Name: sodium 2-hydroxy-5-(2-methylheptan-2-yl)-3-(7-methyloctyl)benzoate Traditional Name: sodium 5-(1,1-dimethylhexyl)-2-hydroxy-3-(7-methyloctyl)benzoate Formula: C24H39NaO3 MolecularWeight: 398.55443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)CCCCCCC(C)C.[Na+]

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)CCCCCCC(C)C.[Na+]

InChI

InChI=1S/C24H40O3.Na/c1-6-7-12-15-24(4,5)20-16-19(22(25)21(17-20)23(26)27)14-11-9-8-10-13-18(2)3;/h16-18,25H,6-15H2,1-5H3,(H,26,27);/q;+1/p-1