[3-[(3-bromophenyl)methyldiazenyl]-3-oxidanyl-butyl] benzoate

Systemtic Name: [3-[(3-bromophenyl)methyldiazenyl]-3-oxidanyl-butyl] benzoate Openeye Name: [3-[(3-bromophenyl)methylazo]-3-hydroxy-butyl] benzoate CAS Name: benzoic acid [3-[(3-bromophenyl)methylazo]-3-hydroxybutyl] ester IUPAC Name: [3-[(3-bromophenyl)methyldiazenyl]-3-hydroxybutyl] benzoate Traditional Name: benzoic acid [3-(3-bromobenzyl)azo-3-hydroxy-butyl] ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=CC=CC=C1)(N=NCC2=CC(=CC=C2)Br)O

Isomeric SMILES

CC(CCOC(=O)C1=CC=CC=C1)(N=NCC2=CC(=CC=C2)Br)O

InChI

InChI=1S/C18H19BrN2O3/c1-18(23,21-20-13-14-6-5-9-16(19)12-14)10-11-24-17(22)15-7-3-2-4-8-15/h2-9,12,23H,10-11,13H2,1H3