4-(2,3-dimethylphenyl)-5-oxidanylidene-5-(3-oxidanyl-5-phenylmethoxy-phenyl)pentanoate

Systemtic Name: 4-(2,3-dimethylphenyl)-5-oxidanylidene-5-(3-oxidanyl-5-phenylmethoxy-phenyl)pentanoate Openeye Name: 5-(3-benzyloxy-5-hydroxy-phenyl)-4-(2,3-dimethylphenyl)-5-oxo-pentanoate CAS Name: 4-(2,3-dimethylphenyl)-5-(3-hydroxy-5-phenylmethoxyphenyl)-5-oxopentanoate IUPAC Name: 4-(2,3-dimethylphenyl)-5-(3-hydroxy-5-phenylmethoxyphenyl)-5-oxopentanoate Traditional Name: 5-(3-benzoxy-5-hydroxy-phenyl)-4-(2,3-dimethylphenyl)-5-keto-valerate Formula: C26H25O5- MolecularWeight: 417.4737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(CCC(=O)[O-])C(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(CCC(=O)[O-])C(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)O)C

InChI

InChI=1S/C26H26O5/c1-17-7-6-10-23(18(17)2)24(11-12-25(28)29)26(30)20-13-21(27)15-22(14-20)31-16-19-8-4-3-5-9-19/h3-10,13-15,24,27H,11-12,16H2,1-2H3,(H,28,29)/p-1