4-[7-oxidanyl-7-oxidanylidene-2-[(E)-2-(2-phenoxyphenyl)ethenyl]heptyl]benzoic acid

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[(E)-2-(2-phenoxyphenyl)ethenyl]heptyl]benzoic acid Openeye Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-(2-phenoxyphenyl)vinyl]heptyl]benzoic acid CAS Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-(2-phenoxyphenyl)ethenyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-(2-phenoxyphenyl)ethenyl]heptyl]benzoic acid Traditional Name: 4-[(E)-2-(5-hydroxy-5-keto-pentyl)-4-(2-phenoxyphenyl)but-3-enyl]benzoic acid Formula: C28H28O5 MolecularWeight: 444.51892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C=CC(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2/C=C/C(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H28O5/c29-27(30)13-7-4-8-21(20-22-15-18-24(19-16-22)28(31)32)14-17-23-9-5-6-12-26(23)33-25-10-2-1-3-11-25/h1-3,5-6,9-12,14-19,21H,4,7-8,13,20H2,(H,29,30)(H,31,32)/b17-14+