sodium 3,5-bis(7-methyloctyl)-2-oxidanyl-benzoate

Systemtic Name: sodium 3,5-bis(7-methyloctyl)-2-oxidanyl-benzoate Openeye Name: sodium 2-hydroxy-3,5-bis(7-methyloctyl)benzoate CAS Name: sodium 2-hydroxy-3,5-bis(7-methyloctyl)benzoate IUPAC Name: sodium 2-hydroxy-3,5-bis(7-methyloctyl)benzoate Traditional Name: sodium 2-hydroxy-3,5-bis(7-methyloctyl)benzoate Formula: C25H41NaO3 MolecularWeight: 412.58101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCCCCC(C)C.[Na+]

Isomeric SMILES

CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCCCCC(C)C.[Na+]

InChI

InChI=1S/C25H42O3.Na/c1-19(2)13-9-5-7-11-15-21-17-22(24(26)23(18-21)25(27)28)16-12-8-6-10-14-20(3)4;/h17-20,26H,5-16H2,1-4H3,(H,27,28);/q;+1/p-1