sodium [3-[3-(4-carboxyphenyl)propanoyl]phenyl] (3-chlorophenyl) phosphate

Systemtic Name: sodium [3-[3-(4-carboxyphenyl)propanoyl]phenyl] (3-chlorophenyl) phosphate Openeye Name: sodium [3-[3-(4-carboxyphenyl)propanoyl]phenyl] (3-chlorophenyl) phosphate CAS Name: sodium [3-[3-(4-carboxyphenyl)-1-oxopropyl]phenyl] (3-chlorophenyl) phosphate IUPAC Name: sodium [3-[3-(4-carboxyphenyl)propanoyl]phenyl] (3-chlorophenyl) phosphate Traditional Name: sodium [3-[3-(4-carboxyphenyl)propanoyl]phenyl] (3-chlorophenyl) phosphate Formula: C22H17ClNaO7P MolecularWeight: 482.782711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OP(=O)([O-])OC2=CC(=CC=C2)Cl)C(=O)CCC3=CC=C(C=C3)C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)OP(=O)([O-])OC2=CC(=CC=C2)Cl)C(=O)CCC3=CC=C(C=C3)C(=O)O.[Na+]

InChI

InChI=1S/C22H18ClO7P.Na/c23-18-4-2-6-20(14-18)30-31(27,28)29-19-5-1-3-17(13-19)21(24)12-9-15-7-10-16(11-8-15)22(25)26;/h1-8,10-11,13-14H,9,12H2,(H,25,26)(H,27,28);/q;+1/p-1