2-[12-[4-[(4-nitrophenyl)diazenyl]phenoxy]dodecoxycarbonyl]terephthalic acid

Systemtic Name: 2-[12-[4-[(4-nitrophenyl)diazenyl]phenoxy]dodecoxycarbonyl]terephthalic acid Openeye Name: 2-[12-[4-(4-nitrophenyl)azophenoxy]dodecoxycarbonyl]terephthalic acid CAS Name: 2-[12-[4-(4-nitrophenyl)azophenoxy]dodecoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[12-[4-[(4-nitrophenyl)diazenyl]phenoxy]dodecoxycarbonyl]terephthalic acid Traditional Name: 2-[12-[4-(4-nitrophenyl)azophenoxy]dodecoxycarbonyl]terephthalic acid Formula: C33H37N3O9 MolecularWeight: 619.66158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C33H37N3O9/c37-31(38)24-11-20-29(32(39)40)30(23-24)33(41)45-22-10-8-6-4-2-1-3-5-7-9-21-44-28-18-14-26(15-19-28)35-34-25-12-16-27(17-13-25)36(42)43/h11-20,23H,1-10,21-22H2,(H,37,38)(H,39,40)