3-octylsulfonyl-1,2,3-benzotriazin-4-one

Systemtic Name: 3-octylsulfonyl-1,2,3-benzotriazin-4-one Openeye Name: 3-octylsulfonyl-1,2,3-benzotriazin-4-one CAS Name: 3-octylsulfonyl-1,2,3-benzotriazin-4-one IUPAC Name: 3-octylsulfonyl-1,2,3-benzotriazin-4-one Traditional Name: 3-octylsulfonyl-1,2,3-benzotriazin-4-one Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H21N3O3S/c1-2-3-4-5-6-9-12-22(20,21)18-15(19)13-10-7-8-11-14(13)16-17-18/h7-8,10-11H,2-6,9,12H2,1H3