sodium pentadecan-2-yl butanoate

Systemtic Name: sodium pentadecan-2-yl butanoate Openeye Name: sodium 1-methyltetradecyl butanoate CAS Name: sodium butanoic acid pentadecan-2-yl ester IUPAC Name: sodium pentadecan-2-yl butanoate Traditional Name: sodium butyric acid 1-methyltetradecyl ester Formula: C19H38NaO2+ MolecularWeight: 321.49359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)OC(=O)CCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC(C)OC(=O)CCC.[Na+]

InChI

InChI=1S/C19H38O2.Na/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)21-19(20)16-5-2;/h18H,4-17H2,1-3H3;/q;+1