azanium 4-oxidanylidene-3-sulfo-4-tetradecoxy-butanoate

Systemtic Name: azanium 4-oxidanylidene-3-sulfo-4-tetradecoxy-butanoate Openeye Name: ammonium 4-oxo-3-sulfo-4-tetradecoxy-butanoate CAS Name: ammonium 4-oxo-3-sulfo-4-tetradecoxybutanoate IUPAC Name: azanium 4-oxo-3-sulfo-4-tetradecoxybutanoate Traditional Name: ammonium 4-keto-4-myristyloxy-3-sulfo-butyrate Formula: C18H37NO7S MolecularWeight: 411.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C18H34O7S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-18(21)16(15-17(19)20)26(22,23)24;/h16H,2-15H2,1H3,(H,19,20)(H,22,23,24);1H3