1-[(E)-3-butyl-3-(phenylsulfonyl)hept-1-enyl]benzotriazole

Systemtic Name: 1-[(E)-3-butyl-3-(phenylsulfonyl)hept-1-enyl]benzotriazole Openeye Name: 1-[(E)-3-(benzenesulfonyl)-3-butyl-hept-1-enyl]benzotriazole CAS Name: 1-[(E)-3-(benzenesulfonyl)-3-butylhept-1-enyl]benzotriazole IUPAC Name: 1-[(E)-3-(benzenesulfonyl)-3-butylhept-1-enyl]benzotriazole Traditional Name: 1-[(E)-3-besyl-3-butyl-hept-1-enyl]benzotriazole Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C=CN1C2=CC=CC=C2N=N1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CCCC)(/C=C/N1C2=CC=CC=C2N=N1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-3-5-16-23(17-6-4-2,29(27,28)20-12-8-7-9-13-20)18-19-26-22-15-11-10-14-21(22)24-25-26/h7-15,18-19H,3-6,16-17H2,1-2H3/b19-18+