2-[4-carboxy-1,8-bis(oxidanyl)octan-4-yl]-2-(trimethylazaniumyl)tetradecanoate

Systemtic Name: 2-[4-carboxy-1,8-bis(oxidanyl)octan-4-yl]-2-(trimethylazaniumyl)tetradecanoate Openeye Name: 2-[1-carboxy-5-hydroxy-1-(3-hydroxypropyl)pentyl]-2-(trimethylammonio)tetradecanoate CAS Name: 2-(4-carboxy-1,8-dihydroxyoctan-4-yl)-2-(trimethylammonio)tetradecanoate IUPAC Name: 2-(4-carboxy-1,8-dihydroxyoctan-4-yl)-2-(trimethylazaniumyl)tetradecanoate Traditional Name: 2-[1-carboxy-5-hydroxy-1-(3-hydroxypropyl)pentyl]-2-(trimethylammonio)myristate Formula: C26H51NO6 MolecularWeight: 473.68624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)[O-])(C(CCCCO)(CCCO)C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)[O-])(C(CCCCO)(CCCO)C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C26H51NO6/c1-5-6-7-8-9-10-11-12-13-14-20-26(24(32)33,27(2,3)4)25(23(30)31,19-17-22-29)18-15-16-21-28/h28-29H,5-22H2,1-4H3,(H-,30,31,32,33)