diazanium 4-[(Z)-octadec-9-enoxy]-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: diazanium 4-[(Z)-octadec-9-enoxy]-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: diammonium 4-[(Z)-octadec-9-enoxy]-4-oxo-3-sulfonato-butanoate CAS Name: diammonium 4-[(Z)-octadec-9-enoxy]-4-oxo-3-sulfonatobutanoate IUPAC Name: diazanium 4-[(Z)-octadec-9-enoxy]-4-oxo-3-sulfonatobutanoate Traditional Name: diammonium 4-keto-4-[(Z)-octadec-9-enoxy]-3-sulfonato-butyrate Formula: C22H46N2O7S MolecularWeight: 482.67484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C22H40O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,26,27,28);2*1H3/b10-9-;;