4-[2-oxidanylidene-3-[4-(5-phenylpentylsulfinyl)phenoxy]propoxy]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-3-[4-(5-phenylpentylsulfinyl)phenoxy]propoxy]benzoic acid Openeye Name: 4-[2-oxo-3-[4-(5-phenylpentylsulfinyl)phenoxy]propoxy]benzoic acid CAS Name: 4-[2-oxo-3-[4-(5-phenylpentylsulfinyl)phenoxy]propoxy]benzoic acid IUPAC Name: 4-[2-oxo-3-[4-(5-phenylpentylsulfinyl)phenoxy]propoxy]benzoic acid Traditional Name: 4-[2-keto-3-[4-(5-phenylpentylsulfinyl)phenoxy]propoxy]benzoic acid Formula: C27H28O6S MolecularWeight: 480.57262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCS(=O)C2=CC=C(C=C2)OCC(=O)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCS(=O)C2=CC=C(C=C2)OCC(=O)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H28O6S/c28-23(19-32-24-12-10-22(11-13-24)27(29)30)20-33-25-14-16-26(17-15-25)34(31)18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)