disodium 2-[(Z)-(3-butan-2-yl-4-oxidanidyl-phenyl)-(3-butan-2-yl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate

Systemtic Name: disodium 2-[(Z)-(3-butan-2-yl-4-oxidanidyl-phenyl)-(3-butan-2-yl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate Openeye Name: disodium 2-[(Z)-(4-oxido-3-sec-butyl-phenyl)-(4-oxo-3-sec-butyl-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate CAS Name: disodium 2-[(Z)-(3-butan-2-yl-4-oxidophenyl)-(3-butan-2-yl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate IUPAC Name: disodium 2-[(Z)-(3-butan-2-yl-4-oxidophenyl)-(3-butan-2-yl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate Traditional Name: disodium 2-[(Z)-(4-keto-3-sec-butyl-cyclohexa-2,5-dien-1-ylidene)-(4-oxido-3-sec-butyl-phenyl)methyl]benzoate Formula: C28H28Na2O4 MolecularWeight: 474.49906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C2=CC(=C(C=C2)[O-])C(C)CC)C3=CC=CC=C3C(=O)[O-])C=CC1=O.[Na+].[Na+]

Isomeric SMILES

CCC(C)C1=C/C(=C(/C2=CC(=C(C=C2)[O-])C(C)CC)\C3=CC=CC=C3C(=O)[O-])/C=CC1=O.[Na+].[Na+]

InChI

InChI=1S/C28H30O4.2Na/c1-5-17(3)23-15-19(11-13-25(23)29)27(21-9-7-8-10-22(21)28(31)32)20-12-14-26(30)24(16-20)18(4)6-2;;/h7-18,29H,5-6H2,1-4H3,(H,31,32);;/q;2*+1/p-2/b27-20-;;