2-octan-2-yl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-octan-2-yl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(1-methylheptyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-octan-2-yl-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-octan-2-yl-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(1-methylheptyl)-1,2-benzothiazol-3-one Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCCCC(C)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C15H21NO3S/c1-3-4-5-6-9-12(2)16-15(17)13-10-7-8-11-14(13)20(16,18)19/h7-8,10-12H,3-6,9H2,1-2H3