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

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2-benzyloxyphenyl)vinyl]-7-hydroxy-7-oxo-heptyl]benzoic acid CAS Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoic acid Traditional Name: 4-[(E)-4-(2-benzoxyphenyl)-2-(5-hydroxy-5-keto-pentyl)but-3-enyl]benzoic acid Formula: C29H30O5 MolecularWeight: 458.5455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C=CC(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/C(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C29H30O5/c30-28(31)13-7-4-8-22(20-23-15-18-26(19-16-23)29(32)33)14-17-25-11-5-6-12-27(25)34-21-24-9-2-1-3-10-24/h1-3,5-6,9-12,14-19,22H,4,7-8,13,20-21H2,(H,30,31)(H,32,33)/b17-14+