3-[3-(3-butoxy-3-oxidanylidene-propyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(3-butoxy-3-oxidanylidene-propyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[3-(3-butoxy-3-oxo-propyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[3-(3-butoxy-3-oxopropyl)-2-(8-phenyloctyl)phenyl]thio]propanoic acid IUPAC Name: 3-[3-(3-butoxy-3-oxopropyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(3-butoxy-3-keto-propyl)-2-(8-phenyloctyl)phenyl]thio]propionic acid Formula: C30H42O4S MolecularWeight: 498.71708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=C(C(=CC=C1)SCCC(=O)O)CCCCCCCCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)CCC1=C(C(=CC=C1)SCCC(=O)O)CCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C30H42O4S/c1-2-3-23-34-30(33)21-20-26-17-13-19-28(35-24-22-29(31)32)27(26)18-12-7-5-4-6-9-14-25-15-10-8-11-16-25/h8,10-11,13,15-17,19H,2-7,9,12,14,18,20-24H2,1H3,(H,31,32)