sodium 3-carboxy-2-methyl-pentadecanoate

Systemtic Name: sodium 3-carboxy-2-methyl-pentadecanoate Openeye Name: sodium 3-carboxy-2-methyl-pentadecanoate CAS Name: sodium 3-carboxy-2-methylpentadecanoate IUPAC Name: sodium 3-carboxy-2-methylpentadecanoate Traditional Name: sodium 3-carboxy-2-methyl-pentadecanoate Formula: C17H31NaO4 MolecularWeight: 322.41541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C)C(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC(C(C)C(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C17H32O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19;/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21);/q;+1/p-1