octyl 4-[(7-butyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate

Systemtic Name: octyl 4-[(7-butyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate Openeye Name: octyl 4-[(7-butyl-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate CAS Name: 4-[(7-butyl-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoic acid octyl ester IUPAC Name: octyl 4-[(7-butyl-4-oxo-1,2,3-benzotriazin-3-yl)sulfonyl]benzoate Traditional Name: 4-[(7-butyl-4-keto-1,2,3-benzotriazin-3-yl)sulfonyl]benzoic acid octyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5S/c1-3-5-7-8-9-10-18-34-26(31)21-13-15-22(16-14-21)35(32,33)29-25(30)23-17-12-20(11-6-4-2)19-24(23)27-28-29/h12-17,19H,3-11,18H2,1-2H3