sodium [1,2-didodecyl-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methanolate

Systemtic Name: sodium [1,2-didodecyl-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methanolate Openeye Name: sodium (1,2-didodecyl-3,5-dioxo-pyrazolidin-4-ylidene)methanolate CAS Name: sodium (1,2-didodecyl-3,5-dioxo-4-pyrazolidinylidene)methanolate IUPAC Name: sodium (1,2-didodecyl-3,5-dioxopyrazolidin-4-ylidene)methanolate Traditional Name: sodium (3,5-diketo-1,2-dilauryl-pyrazolidin-4-ylidene)methanolate Formula: C28H51N2NaO3 MolecularWeight: 486.70591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C(=C[O-])C(=O)N1CCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C(=C[O-])C(=O)N1CCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C28H52N2O3.Na/c1-3-5-7-9-11-13-15-17-19-21-23-29-27(32)26(25-31)28(33)30(29)24-22-20-18-16-14-12-10-8-6-4-2;/h25,31H,3-24H2,1-2H3;/q;+1/p-1