dodecyl 3-[4-(1,3-dithiolan-2-yl)-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate

Systemtic Name: dodecyl 3-[4-(1,3-dithiolan-2-yl)-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate Openeye Name: dodecyl 3-[4-(1,3-dithiolan-2-yl)-3,5-dioxo-pyrazolidin-1-yl]benzoate CAS Name: 3-[4-(1,3-dithiolan-2-yl)-3,5-dioxo-1-pyrazolidinyl]benzoic acid dodecyl ester IUPAC Name: dodecyl 3-[4-(1,3-dithiolan-2-yl)-3,5-dioxopyrazolidin-1-yl]benzoate Traditional Name: 3-[4-(1,3-dithiolan-2-yl)-3,5-diketo-pyrazolidin-1-yl]benzoic acid lauryl ester Formula: C25H36N2O4S2 MolecularWeight: 492.69434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C(C(=O)N2)C3SCCS3

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C(C(=O)N2)C3SCCS3

InChI

InChI=1S/C25H36N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-15-31-24(30)19-13-12-14-20(18-19)27-23(29)21(22(28)26-27)25-32-16-17-33-25/h12-14,18,21,25H,2-11,15-17H2,1H3,(H,26,28)