trisodium 2-methyl-1-oxidanylidene-5-phenyl-1-phenylmethoxy-heptane-2,3,4-tricarboxylate

Systemtic Name: trisodium 2-methyl-1-oxidanylidene-5-phenyl-1-phenylmethoxy-heptane-2,3,4-tricarboxylate Openeye Name: trisodium 1-benzyloxy-2-methyl-1-oxo-5-phenyl-heptane-2,3,4-tricarboxylate CAS Name: trisodium 2-methyl-1-oxo-5-phenyl-1-phenylmethoxyheptane-2,3,4-tricarboxylate IUPAC Name: trisodium 2-methyl-1-oxo-5-phenyl-1-phenylmethoxyheptane-2,3,4-tricarboxylate Traditional Name: trisodium 1-benzoxy-1-keto-2-methyl-5-phenyl-heptane-2,3,4-tricarboxylate Formula: C24H23Na3O8 MolecularWeight: 508.40393

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(C(C(C)C(=O)OCC2=CC=CC=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(C(C(C)C(=O)OCC2=CC=CC=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H26O8.3Na/c1-3-24(23(30)31,17-12-8-5-9-13-17)19(21(27)28)18(20(25)26)15(2)22(29)32-14-16-10-6-4-7-11-16;;;/h4-13,15,18-19H,3,14H2,1-2H3,(H,25,26)(H,27,28)(H,30,31);;;/q;3*+1/p-3