2-[6-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyhexoxycarbonyl]terephthalic acid

Systemtic Name: 2-[6-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyhexoxycarbonyl]terephthalic acid Openeye Name: 2-[6-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyhexoxycarbonyl]terephthalic acid CAS Name: 2-[6-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]hexoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[6-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxyhexoxycarbonyl]terephthalic acid Traditional Name: 2-[6-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyhexoxycarbonyl]terephthalic acid Formula: C36H42N2O11 MolecularWeight: 678.72548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C36H42N2O11/c1-2-3-4-5-6-9-18-47-32-23-30(37)28(22-31(32)38(45)46)24-12-14-25(15-13-24)35(43)48-19-10-7-8-11-20-49-36(44)29-21-26(33(39)40)16-17-27(29)34(41)42/h12-17,21-23H,2-11,18-20,37H2,1H3,(H,39,40)(H,41,42)