sodium 3-decoxycarbonyl-4,4-dimethyl-hexanoate

Systemtic Name: sodium 3-decoxycarbonyl-4,4-dimethyl-hexanoate Openeye Name: sodium 3-decoxycarbonyl-4,4-dimethyl-hexanoate CAS Name: sodium 3-[decoxy(oxo)methyl]-4,4-dimethylhexanoate IUPAC Name: sodium 3-decoxycarbonyl-4,4-dimethylhexanoate Traditional Name: sodium 3-decoxycarbonyl-4,4-dimethyl-hexanoate Formula: C19H35NaO4 MolecularWeight: 350.46857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CC(=O)[O-])C(C)(C)CC.[Na+]

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CC(=O)[O-])C(C)(C)CC.[Na+]

InChI

InChI=1S/C19H36O4.Na/c1-5-7-8-9-10-11-12-13-14-23-18(22)16(15-17(20)21)19(3,4)6-2;/h16H,5-15H2,1-4H3,(H,20,21);/q;+1/p-1