disodium (3S)-3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: disodium (3S)-3-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: disodium (3S)-3-(3-oxido-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: disodium (3S)-3-[(3-oxido-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoate IUPAC Name: disodium (3S)-3-(3-oxido-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: disodium (3S)-3-[(3-keto-3-oxido-propyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionate Formula: C26H32Na2O4S MolecularWeight: 486.57442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O4S.2Na/c27-25(28)18-19-31-24(20-26(29)30)23-17-11-10-16-22(23)15-9-4-2-1-3-6-12-21-13-7-5-8-14-21;;/h5,7-8,10-11,13-14,16-17,24H,1-4,6,9,12,15,18-20H2,(H,27,28)(H,29,30);;/q;2*+1/p-2/t24-;;/m0../s1