octyl 2-[(6-methylsulfonyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate

Systemtic Name: octyl 2-[(6-methylsulfonyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate Openeye Name: octyl 2-[(6-methylsulfonyl-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate CAS Name: 2-[(6-methylsulfonyl-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoic acid octyl ester IUPAC Name: octyl 2-[(6-methylsulfonyl-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate Traditional Name: 2-[(4-keto-6-mesyl-1,2,3-benzotriazin-3-yl)sulfonyl]benzoic acid octyl ester Formula: C23H27N3O7S2 MolecularWeight: 521.60638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N=N2

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N=N2

InChI

InChI=1S/C23H27N3O7S2/c1-3-4-5-6-7-10-15-33-23(28)18-11-8-9-12-21(18)35(31,32)26-22(27)19-16-17(34(2,29)30)13-14-20(19)24-25-26/h8-9,11-14,16H,3-7,10,15H2,1-2H3