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

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptanoyl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2-benzyloxyphenyl)vinyl]-7-hydroxy-7-oxo-heptanoyl]benzoic acid CAS Name: 4-[7-hydroxy-1,7-dioxo-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptanoyl]benzoic acid Traditional Name: 4-[(E)-4-(2-benzoxyphenyl)-2-(5-hydroxy-5-keto-pentyl)but-3-enoyl]benzoic acid Formula: C29H28O6 MolecularWeight: 472.52902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28O6/c30-27(31)13-7-5-11-23(28(32)24-16-18-25(19-17-24)29(33)34)15-14-22-10-4-6-12-26(22)35-20-21-8-2-1-3-9-21/h1-4,6,8-10,12,14-19,23H,5,7,11,13,20H2,(H,30,31)(H,33,34)/b15-14+