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

Systemtic Name: 4-[2-oxidanylidene-3-[4-(5-phenylpentoxycarbonyl)phenoxy]propoxy]benzoic acid Openeye Name: 4-[2-oxo-3-[4-(5-phenylpentoxycarbonyl)phenoxy]propoxy]benzoic acid CAS Name: 4-[2-oxo-3-[4-[oxo(5-phenylpentoxy)methyl]phenoxy]propoxy]benzoic acid IUPAC Name: 4-[2-oxo-3-[4-(5-phenylpentoxycarbonyl)phenoxy]propoxy]benzoic acid Traditional Name: 4-[2-keto-3-[4-(5-phenylpentoxycarbonyl)phenoxy]propoxy]benzoic acid Formula: C28H28O7 MolecularWeight: 476.51772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28O7/c29-24(19-34-25-14-10-22(11-15-25)27(30)31)20-35-26-16-12-23(13-17-26)28(32)33-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,30,31)