disodium (3Z)-3-[[2,6-bis(chloranyl)-3-sulfonato-phenyl]-(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-5-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium (3Z)-3-[[2,6-bis(chloranyl)-3-sulfonato-phenyl]-(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-5-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3Z)-3-[(2,6-dichloro-3-sulfonato-phenyl)-(4-hydroxy-3,5-dimethyl-phenyl)methylene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3Z)-3-[(2,6-dichloro-3-sulfonatophenyl)-(4-hydroxy-3,5-dimethylphenyl)methylidene]-5-methyl-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3Z)-3-[(2,6-dichloro-3-sulfonatophenyl)-(4-hydroxy-3,5-dimethylphenyl)methylidene]-5-methyl-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3Z)-3-[(2,6-dichloro-3-sulfonato-phenyl)-(4-hydroxy-3,5-dimethyl-phenyl)methylene]-6-keto-5-methyl-cyclohexa-1,4-diene-1-carboxylate Formula: C23H16Cl2Na2O7S MolecularWeight: 553.31948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(=C2C=C(C(=O)C(=C2)C(=O)[O-])C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C(=C/2\C=C(C(=O)C(=C2)C(=O)[O-])C)/C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C23H18Cl2O7S.2Na/c1-10-6-13(7-11(2)21(10)26)18(14-8-12(3)22(27)15(9-14)23(28)29)19-16(24)4-5-17(20(19)25)33(30,31)32;;/h4-9,26H,1-3H3,(H,28,29)(H,30,31,32);;/q;2*+1/p-2/b18-14-;;