trisodium 2-[(Z,2S,3S)-2,4-dimethyl-5-oxidanidyl-5-(2-oxidanidylphenyl)-3-phenyl-pent-4-enoyl]phenolate

Systemtic Name: trisodium 2-[(Z,2S,3S)-2,4-dimethyl-5-oxidanidyl-5-(2-oxidanidylphenyl)-3-phenyl-pent-4-enoyl]phenolate Openeye Name: trisodium 2-[(Z,2S,3S)-2,4-dimethyl-5-oxido-5-(2-oxidophenyl)-3-phenyl-pent-4-enoyl]phenolate CAS Name: trisodium 2-[(Z,2S,3S)-2,4-dimethyl-5-oxido-5-(2-oxidophenyl)-1-oxo-3-phenylpent-4-enyl]phenolate IUPAC Name: trisodium 2-[(Z,2S,3S)-2,4-dimethyl-5-oxido-5-(2-oxidophenyl)-3-phenylpent-4-enoyl]phenolate Traditional Name: trisodium 2-[(Z,2S,3S)-2,4-dimethyl-5-oxido-5-(2-oxidophenyl)-3-phenyl-pent-4-enoyl]phenolate Formula: C25H21Na3O4 MolecularWeight: 454.40115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)C(=C(C2=CC=CC=C2[O-])[O-])C)C(=O)C3=CC=CC=C3[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)/C(=C(/C2=CC=CC=C2[O-])\[O-])/C)C(=O)C3=CC=CC=C3[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H24O4.3Na/c1-16(24(28)19-12-6-8-14-21(19)26)23(18-10-4-3-5-11-18)17(2)25(29)20-13-7-9-15-22(20)27;;;/h3-16,23,26-27,29H,1-2H3;;;/q;3*+1/p-3/b25-17-;;;/t16-,23+;;;/m0.../s1