4-decoxy-2-(2-nitro-4-phenyl-phenyl)-3-octan-2-yloxy-benzoate

Systemtic Name: 4-decoxy-2-(2-nitro-4-phenyl-phenyl)-3-octan-2-yloxy-benzoate Openeye Name: 4-decoxy-3-(1-methylheptoxy)-2-(2-nitro-4-phenyl-phenyl)benzoate CAS Name: 4-decoxy-2-(2-nitro-4-phenylphenyl)-3-octan-2-yloxybenzoate IUPAC Name: 4-decoxy-2-(2-nitro-4-phenylphenyl)-3-octan-2-yloxybenzoate Traditional Name: 4-decoxy-3-(1-methylheptoxy)-2-(2-nitro-4-phenyl-phenyl)benzoate Formula: C37H48NO6- MolecularWeight: 602.78012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])OC(C)CCCCCC

InChI

InChI=1S/C37H49NO6/c1-4-6-8-10-11-12-13-18-26-43-34-25-24-32(37(39)40)35(36(34)44-28(3)19-15-9-7-5-2)31-23-22-30(27-33(31)38(41)42)29-20-16-14-17-21-29/h14,16-17,20-25,27-28H,4-13,15,18-19,26H2,1-3H3,(H,39,40)/p-1