sodium [[3,5-dimethyl-4-(phenylcarbonyl)phenoxy]-(2-methoxyphenoxy)phosphoryl] hydrogen carbonate

Systemtic Name: sodium [[3,5-dimethyl-4-(phenylcarbonyl)phenoxy]-(2-methoxyphenoxy)phosphoryl] hydrogen carbonate Openeye Name: sodium [(4-benzoyl-3,5-dimethyl-phenoxy)-(2-methoxyphenoxy)phosphoryl] hydrogen carbonate CAS Name: sodium carbonic acid [(4-benzoyl-3,5-dimethylphenoxy)-(2-methoxyphenoxy)phosphoryl] ester IUPAC Name: sodium [(4-benzoyl-3,5-dimethylphenoxy)-(2-methoxyphenoxy)phosphoryl] hydrogen carbonate Traditional Name: sodium carbonic acid [(4-benzoyl-3,5-dimethyl-phenoxy)-(2-methoxyphenoxy)phosphoryl] ester Formula: C23H21NaO8P+ MolecularWeight: 479.371571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)C)OP(=O)(OC3=CC=CC=C3OC)OC(=O)O.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)C)OP(=O)(OC3=CC=CC=C3OC)OC(=O)O.[Na+]

InChI

InChI=1S/C23H21O8P.Na/c1-15-13-18(14-16(2)21(15)22(24)17-9-5-4-6-10-17)29-32(27,31-23(25)26)30-20-12-8-7-11-19(20)28-3;/h4-14H,1-3H3,(H,25,26);/q;+1