2-[4-[(3,5-dimethylphenoxy)-oxidanyl-phosphoryl]oxyphenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[(3,5-dimethylphenoxy)-oxidanyl-phosphoryl]oxyphenyl]carbonylbenzoic acid Openeye Name: 2-[4-[(3,5-dimethylphenoxy)-hydroxy-phosphoryl]oxybenzoyl]benzoic acid CAS Name: 2-[[4-[(3,5-dimethylphenoxy)-hydroxyphosphoryl]oxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(3,5-dimethylphenoxy)-hydroxyphosphoryl]oxybenzoyl]benzoic acid Traditional Name: 2-[4-[(3,5-dimethylphenoxy)-hydroxy-phosphoryl]oxybenzoyl]benzoic acid Formula: C22H19O7P MolecularWeight: 426.355821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)(O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)(O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)C

InChI

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