disodium 5-[(E)-(3-carboxylato-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(4-dimethylaminophenyl)methyl]-3-methyl-2-oxidanyl-benzoate

Systemtic Name: disodium 5-[(E)-(3-carboxylato-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(4-dimethylaminophenyl)methyl]-3-methyl-2-oxidanyl-benzoate Openeye Name: disodium 5-[(E)-(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methyl-benzoate CAS Name: disodium 5-[(E)-(3-carboxylato-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methylbenzoate IUPAC Name: disodium 5-[(E)-(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methylbenzoate Traditional Name: disodium 5-[(E)-(3-carboxylato-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-(4-dimethylaminophenyl)methyl]-2-hydroxy-3-methyl-benzoate Formula: C25H21NNa2O6 MolecularWeight: 477.41688

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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)N(C)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1O)C(=O)[O-])/C(=C/2\C=C(C(=O)C(=C2)C(=O)[O-])C)/C3=CC=C(C=C3)N(C)C.[Na+].[Na+]

InChI

InChI=1S/C25H23NO6.2Na/c1-13-9-16(11-19(22(13)27)24(29)30)21(15-5-7-18(8-6-15)26(3)4)17-10-14(2)23(28)20(12-17)25(31)32;;/h5-12,27H,1-4H3,(H,29,30)(H,31,32);;/q;2*+1/p-2/b21-17+;;