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

Systemtic Name: 2-[5-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxypentoxycarbonyl]terephthalic acid Openeye Name: 2-[5-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxypentoxycarbonyl]terephthalic acid CAS Name: 2-[5-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]pentoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[5-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxypentoxycarbonyl]terephthalic acid Traditional Name: 2-[5-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxypentoxycarbonyl]terephthalic acid Formula: C35H40N2O11 MolecularWeight: 664.6989

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H40N2O11/c1-2-3-4-5-6-8-17-46-31-22-29(36)27(21-30(31)37(44)45)23-11-13-24(14-12-23)34(42)47-18-9-7-10-19-48-35(43)28-20-25(32(38)39)15-16-26(28)33(40)41/h11-16,20-22H,2-10,17-19,36H2,1H3,(H,38,39)(H,40,41)