2-azaniumylethylazanium; (2S,3R)-3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: 2-azaniumylethylazanium; (2S,3R)-3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: 2-azaniumylethylammonium; (2S,3R)-2-hydroxy-3-(3-oxido-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 2-ammonioethylammonium; (2S,3R)-2-hydroxy-3-[(3-oxido-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoate IUPAC Name: 2-azaniumylethylazanium; (2S,3R)-2-hydroxy-3-(3-oxido-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 2-ammonioethylammonium; (2S,3R)-2-hydroxy-3-[(3-keto-3-oxido-propyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionate Formula: C28H42N2O5S MolecularWeight: 518.70848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)[O-])O)SCCC(=O)[O-].C(C[NH3+])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@H]([C@H](C(=O)[O-])O)SCCC(=O)[O-].C(C[NH3+])[NH3+]

InChI

InChI=1S/C26H34O5S.C2H8N2/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20;3-1-2-4/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31);1-4H2/t24-,25-;/m1./s1