trisodium 2-[(Z)-3-(4-methoxyphenyl)-4-methyl-5-oxidanidyl-5-(2-oxidanidylphenyl)pent-4-enoyl]phenolate

Systemtic Name: trisodium 2-[(Z)-3-(4-methoxyphenyl)-4-methyl-5-oxidanidyl-5-(2-oxidanidylphenyl)pent-4-enoyl]phenolate Openeye Name: trisodium 2-[(Z)-3-(4-methoxyphenyl)-4-methyl-5-oxido-5-(2-oxidophenyl)pent-4-enoyl]phenolate CAS Name: trisodium 2-[(Z)-3-(4-methoxyphenyl)-4-methyl-5-oxido-5-(2-oxidophenyl)-1-oxopent-4-enyl]phenolate IUPAC Name: trisodium 2-[(Z)-3-(4-methoxyphenyl)-4-methyl-5-oxido-5-(2-oxidophenyl)pent-4-enoyl]phenolate Traditional Name: trisodium 2-[(Z)-3-(4-methoxyphenyl)-4-methyl-5-oxido-5-(2-oxidophenyl)pent-4-enoyl]phenolate Formula: C25H21Na3O5 MolecularWeight: 470.40055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O5.3Na/c1-16(25(29)20-8-4-6-10-23(20)27)21(17-11-13-18(30-2)14-12-17)15-24(28)19-7-3-5-9-22(19)26;;;/h3-14,21,26-27,29H,15H2,1-2H3;;;/q;3*+1/p-3/b25-16-;;;