1,1-bis(oxidanylidene)-7-pentyl-4H-1$l^{6},2,4-benzothiadiazin-3-olate

Systemtic Name: 1,1-bis(oxidanylidene)-7-pentyl-4H-1$l^{6},2,4-benzothiadiazin-3-olate Openeye Name: 1,1-dioxo-7-pentyl-4H-1$l^{6},2,4-benzothiadiazin-3-olate CAS Name: 1,1-dioxo-7-pentyl-4H-1$l^{6},2,4-benzothiadiazin-3-olate IUPAC Name: 1,1-dioxo-7-pentyl-4H-1$l^{6},2,4-benzothiadiazin-3-olate Traditional Name: 7-amyl-1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-3-olate Formula: C12H15N2O3S- MolecularWeight: 267.3241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)NC(=NS2(=O)=O)[O-]

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)NC(=NS2(=O)=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-2-3-4-5-9-6-7-10-11(8-9)18(16,17)14-12(15)13-10/h6-8H,2-5H2,1H3,(H2,13,14,15)/p-1