3-[[3,5-dimethyl-4-(phenylcarbonyl)phenoxy]-oxidanyl-phosphoryl]oxybenzoic acid

Systemtic Name: 3-[[3,5-dimethyl-4-(phenylcarbonyl)phenoxy]-oxidanyl-phosphoryl]oxybenzoic acid Openeye Name: 3-[(4-benzoyl-3,5-dimethyl-phenoxy)-hydroxy-phosphoryl]oxybenzoic acid CAS Name: 3-[(4-benzoyl-3,5-dimethylphenoxy)-hydroxyphosphoryl]oxybenzoic acid IUPAC Name: 3-[(4-benzoyl-3,5-dimethylphenoxy)-hydroxyphosphoryl]oxybenzoic acid Traditional Name: 3-[(4-benzoyl-3,5-dimethyl-phenoxy)-hydroxy-phosphoryl]oxybenzoic acid Formula: C22H19O7P MolecularWeight: 426.355821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)C)OP(=O)(O)OC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)C)OP(=O)(O)OC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H19O7P/c1-14-11-19(12-15(2)20(14)21(23)16-7-4-3-5-8-16)29-30(26,27)28-18-10-6-9-17(13-18)22(24)25/h3-13H,1-2H3,(H,24,25)(H,26,27)