2-[8-[4-[(4-dimethylaminophenyl)diazenyl]phenoxy]octoxycarbonyl]terephthalic acid

Systemtic Name: 2-[8-[4-[(4-dimethylaminophenyl)diazenyl]phenoxy]octoxycarbonyl]terephthalic acid Openeye Name: 2-[8-[4-(4-dimethylaminophenyl)azophenoxy]octoxycarbonyl]terephthalic acid CAS Name: 2-[8-[4-(4-dimethylaminophenyl)azophenoxy]octoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[8-[4-[(4-dimethylaminophenyl)diazenyl]phenoxy]octoxycarbonyl]terephthalic acid Traditional Name: 2-[8-[4-(4-dimethylaminophenyl)azophenoxy]octoxycarbonyl]terephthalic acid Formula: C31H35N3O7 MolecularWeight: 561.6255

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C31H35N3O7/c1-34(2)25-14-10-23(11-15-25)32-33-24-12-16-26(17-13-24)40-19-7-5-3-4-6-8-20-41-31(39)28-21-22(29(35)36)9-18-27(28)30(37)38/h9-18,21H,3-8,19-20H2,1-2H3,(H,35,36)(H,37,38)