trisodium 5-[(3-carboxylato-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxylato-5-methyl-4-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoate

Systemtic Name: trisodium 5-[(3-carboxylato-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxylato-5-methyl-4-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoate Openeye Name: trisodium 5-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methyl-benzoate CAS Name: trisodium 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)-(3-carboxylato-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-3-methylbenzoate IUPAC Name: trisodium 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)-(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methylbenzoate Traditional Name: trisodium 5-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(3-carboxylato-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methyl-benzoate Formula: C25H17Na3O9 MolecularWeight: 530.36639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)[O-])C)C3=CC(=C(C(=C3)C)O)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1O)C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)[O-])C)C3=CC(=C(C(=C3)C)O)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H20O9.3Na/c1-10-4-13(7-16(20(10)26)23(29)30)19(14-5-11(2)21(27)17(8-14)24(31)32)15-6-12(3)22(28)18(9-15)25(33)34;;;/h4-9,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34);;;/q;3*+1/p-3