2-[2-(4-acetyloxy-3-tert-butyl-phenoxy)tetradecyl]-4-nitro-3-propan-2-yloxy-benzoate

Systemtic Name: 2-[2-(4-acetyloxy-3-tert-butyl-phenoxy)tetradecyl]-4-nitro-3-propan-2-yloxy-benzoate Openeye Name: 2-[2-(4-acetoxy-3-tert-butyl-phenoxy)tetradecyl]-3-isopropoxy-4-nitro-benzoate CAS Name: 2-[2-(4-acetyloxy-3-tert-butylphenoxy)tetradecyl]-4-nitro-3-propan-2-yloxybenzoate IUPAC Name: 2-[2-(4-acetyloxy-3-tert-butylphenoxy)tetradecyl]-4-nitro-3-propan-2-yloxybenzoate Traditional Name: 2-[2-(4-acetoxy-3-tert-butyl-phenoxy)tetradecyl]-3-isopropoxy-4-nitro-benzoate Formula: C36H52NO8- MolecularWeight: 626.79998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC1=C(C=CC(=C1OC(C)C)[N+](=O)[O-])C(=O)[O-])OC2=CC(=C(C=C2)OC(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(CC1=C(C=CC(=C1OC(C)C)[N+](=O)[O-])C(=O)[O-])OC2=CC(=C(C=C2)OC(=O)C)C(C)(C)C

InChI

InChI=1S/C36H53NO8/c1-8-9-10-11-12-13-14-15-16-17-18-27(45-28-19-22-33(44-26(4)38)31(24-28)36(5,6)7)23-30-29(35(39)40)20-21-32(37(41)42)34(30)43-25(2)3/h19-22,24-25,27H,8-18,23H2,1-7H3,(H,39,40)/p-1