2-[[4-[bis[(2S)-2-bromanylpropyl]amino]-2-methyl-phenyl]diazenyl]benzoic acid

Systemtic Name: 2-[[4-[bis[(2S)-2-bromanylpropyl]amino]-2-methyl-phenyl]diazenyl]benzoic acid Openeye Name: 2-[4-[bis[(2S)-2-bromopropyl]amino]-2-methyl-phenyl]azobenzoic acid CAS Name: 2-[4-[bis[(2S)-2-bromopropyl]amino]-2-methylphenyl]azobenzoic acid IUPAC Name: 2-[[4-[bis[(2S)-2-bromopropyl]amino]-2-methylphenyl]diazenyl]benzoic acid Traditional Name: 2-[4-[bis[(2S)-2-bromopropyl]amino]-2-methyl-phenyl]azobenzoic acid Formula: C20H23Br2N3O2 MolecularWeight: 497.22352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(C)Br)CC(C)Br)N=NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(C[C@H](C)Br)C[C@H](C)Br)N=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H23Br2N3O2/c1-13-10-16(25(11-14(2)21)12-15(3)22)8-9-18(13)23-24-19-7-5-4-6-17(19)20(26)27/h4-10,14-15H,11-12H2,1-3H3,(H,26,27)/t14-,15-/m0/s1