methyl 2-pentylsulfonyl-3-phenyldiazenyl-benzoate

Systemtic Name: methyl 2-pentylsulfonyl-3-phenyldiazenyl-benzoate Openeye Name: methyl 2-pentylsulfonyl-3-phenylazo-benzoate CAS Name: 2-pentylsulfonyl-3-phenyldiazenylbenzoic acid methyl ester IUPAC Name: methyl 2-pentylsulfonyl-3-phenyldiazenylbenzoate Traditional Name: 2-amylsulfonyl-3-phenylazo-benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=C(C=CC=C1N=NC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCS(=O)(=O)C1=C(C=CC=C1N=NC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O4S/c1-3-4-8-14-26(23,24)18-16(19(22)25-2)12-9-13-17(18)21-20-15-10-6-5-7-11-15/h5-7,9-13H,3-4,8,14H2,1-2H3