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

Systemtic Name: sodium (E)-[1-(3-hexylsulfanylpropyl)-2-methyl-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methanolate Openeye Name: sodium (E)-[1-(3-hexylsulfanylpropyl)-2-methyl-3,5-dioxo-pyrazolidin-4-ylidene]methanolate CAS Name: sodium (E)-[1-[3-(hexylthio)propyl]-2-methyl-3,5-dioxo-4-pyrazolidinylidene]methanolate IUPAC Name: sodium (E)-[1-(3-hexylsulfanylpropyl)-2-methyl-3,5-dioxopyrazolidin-4-ylidene]methanolate Traditional Name: sodium (E)-[1-[3-(hexylthio)propyl]-3,5-diketo-2-methyl-pyrazolidin-4-ylidene]methanolate Formula: C14H23N2NaO3S MolecularWeight: 322.39879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCCN1C(=O)C(=C[O-])C(=O)N1C.[Na+]

Isomeric SMILES

CCCCCCSCCCN1C(=O)/C(=C/[O-])/C(=O)N1C.[Na+]

InChI

InChI=1S/C14H24N2O3S.Na/c1-3-4-5-6-9-20-10-7-8-16-14(19)12(11-17)13(18)15(16)2;/h11,17H,3-10H2,1-2H3;/q;+1/p-1/b12-11+;