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

Systemtic Name: sodium [1,2-bis(3-hexylsulfanylpropyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methanolate Openeye Name: sodium [1,2-bis(3-hexylsulfanylpropyl)-3,5-dioxo-pyrazolidin-4-ylidene]methanolate CAS Name: sodium [1,2-bis[3-(hexylthio)propyl]-3,5-dioxo-4-pyrazolidinylidene]methanolate IUPAC Name: sodium [1,2-bis(3-hexylsulfanylpropyl)-3,5-dioxopyrazolidin-4-ylidene]methanolate Traditional Name: sodium [1,2-bis[3-(hexylthio)propyl]-3,5-diketo-pyrazolidin-4-ylidene]methanolate Formula: C22H39N2NaO3S2 MolecularWeight: 466.67643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCCN1C(=O)C(=C[O-])C(=O)N1CCCSCCCCCC.[Na+]

Isomeric SMILES

CCCCCCSCCCN1C(=O)C(=C[O-])C(=O)N1CCCSCCCCCC.[Na+]

InChI

InChI=1S/C22H40N2O3S2.Na/c1-3-5-7-9-15-28-17-11-13-23-21(26)20(19-25)22(27)24(23)14-12-18-29-16-10-8-6-4-2;/h19,25H,3-18H2,1-2H3;/q;+1/p-1