disodium 3-[(2E)-2-(3,5-dimethyl-2-oxidanylidene-cyclohexylidene)ethyl]pentanedioate

Systemtic Name: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxidanylidene-cyclohexylidene)ethyl]pentanedioate Openeye Name: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxo-cyclohexylidene)ethyl]pentanedioate CAS Name: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]pentanedioate IUPAC Name: disodium 3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]pentanedioate Traditional Name: disodium 3-[(2E)-2-(2-keto-3,5-dimethyl-cyclohexylidene)ethyl]glutarate Formula: C15H20Na2O5 MolecularWeight: 326.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(=CCC(CC(=O)[O-])CC(=O)[O-])C1)C.[Na+].[Na+]

Isomeric SMILES

CC1CC(C(=O)/C(=C/CC(CC(=O)[O-])CC(=O)[O-])/C1)C.[Na+].[Na+]

InChI

InChI=1S/C15H22O5.2Na/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19;;/h4,9-11H,3,5-8H2,1-2H3,(H,16,17)(H,18,19);;/q;2*+1/p-2/b12-4+;;