sodium 2,6-dimethyl-4-[(2-methylphenoxy)-(phenylcarbonyloxy)phosphoryl]oxy-benzoic acid

Systemtic Name: sodium 2,6-dimethyl-4-[(2-methylphenoxy)-(phenylcarbonyloxy)phosphoryl]oxy-benzoic acid Openeye Name: sodium 4-[benzoyloxy-(2-methylphenoxy)phosphoryl]oxy-2,6-dimethyl-benzoic acid CAS Name: sodium 4-[benzoyloxy-(2-methylphenoxy)phosphoryl]oxy-2,6-dimethylbenzoic acid IUPAC Name: sodium 4-[benzoyloxy-(2-methylphenoxy)phosphoryl]oxy-2,6-dimethylbenzoic acid Traditional Name: sodium 4-[benzoyloxy-(2-methylphenoxy)phosphoryl]oxy-2,6-dimethyl-benzoic acid Formula: C23H21NaO7P+ MolecularWeight: 463.372171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OP(=O)(OC2=CC(=C(C(=C2)C)C(=O)O)C)OC(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=CC=CC=C1OP(=O)(OC2=CC(=C(C(=C2)C)C(=O)O)C)OC(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C23H21O7P.Na/c1-15-9-7-8-12-20(15)29-31(27,30-23(26)18-10-5-4-6-11-18)28-19-13-16(2)21(22(24)25)17(3)14-19;/h4-14H,1-3H3,(H,24,25);/q;+1