disodium (E,4Z)-4-(3,7-dimethyloctylidene)-3-methyl-pent-2-enedioate

Systemtic Name: disodium (E,4Z)-4-(3,7-dimethyloctylidene)-3-methyl-pent-2-enedioate Openeye Name: disodium (E,4Z)-4-(3,7-dimethyloctylidene)-3-methyl-pent-2-enedioate CAS Name: disodium (E,4Z)-4-(3,7-dimethyloctylidene)-3-methyl-2-pentenedioate IUPAC Name: disodium (E,4Z)-4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioate Traditional Name: disodium (E,4Z)-4-(3,7-dimethyloctylidene)-3-methyl-pent-2-enedioate Formula: C16H24Na2O4 MolecularWeight: 326.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CC=C(C(=CC(=O)[O-])C)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)CCCC(C)C/C=C(/C(=C/C(=O)[O-])/C)\C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H26O4.2Na/c1-11(2)6-5-7-12(3)8-9-14(16(19)20)13(4)10-15(17)18;;/h9-12H,5-8H2,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2/b13-10+,14-9-;;