azanium; 4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-3-sulfonato-butanoate; propan-2-ylazanium

Systemtic Name: azanium; 4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-3-sulfonato-butanoate; propan-2-ylazanium Openeye Name: ammonium; isopropylammonium; 4-[1-methyl-2-[[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfonato-butanoate CAS Name: ammonium; 4-oxo-4-[1-[[(Z)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-3-sulfonatobutanoate; propan-2-ylammonium IUPAC Name: azanium; 4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate; propan-2-ylazanium Traditional Name: ammonium; isopropylammonium; 4-keto-4-[1-methyl-2-[[(Z)-octadec-9-enoyl]amino]ethoxy]-3-sulfonato-butyrate Formula: C28H57N3O8S MolecularWeight: 595.83248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].CC(C)[NH3+].[NH4+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].CC(C)[NH3+].[NH4+]

InChI

InChI=1S/C25H45NO8S.C3H9N.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;1-3(2)4;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);3H,4H2,1-2H3;1H3/b11-10-;;