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

Systemtic Name: 2-[[4-[bis(2-iodanylethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid Openeye Name: 2-[4-[bis(2-iodoethyl)amino]-2-methyl-phenyl]azobenzoic acid CAS Name: 2-[4-[bis(2-iodoethyl)amino]-2-methylphenyl]azobenzoic acid IUPAC Name: 2-[[4-[bis(2-iodoethyl)amino]-2-methylphenyl]diazenyl]benzoic acid Traditional Name: 2-[4-[bis(2-iodoethyl)amino]-2-methyl-phenyl]azobenzoic acid Formula: C18H19I2N3O2 MolecularWeight: 563.1713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19I2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)