3-(4-decoxyphenyl)-2-nitro-1-[(2R)-octan-2-yl]oxy-4-phenyl-benzene

Systemtic Name: 3-(4-decoxyphenyl)-2-nitro-1-[(2R)-octan-2-yl]oxy-4-phenyl-benzene Openeye Name: 3-(4-decoxyphenyl)-1-[(1R)-1-methylheptoxy]-2-nitro-4-phenyl-benzene CAS Name: 3-(4-decoxyphenyl)-2-nitro-1-[(2R)-octan-2-yl]oxy-4-phenylbenzene IUPAC Name: 3-(4-decoxyphenyl)-2-nitro-1-[(2R)-octan-2-yl]oxy-4-phenylbenzene Traditional Name: 3-(4-decoxyphenyl)-1-[(1R)-1-methylheptoxy]-2-nitro-4-phenyl-benzene Formula: C36H49NO4 MolecularWeight: 559.77856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H49NO4/c1-4-6-8-10-11-12-13-18-28-40-32-24-22-31(23-25-32)35-33(30-20-16-14-17-21-30)26-27-34(36(35)37(38)39)41-29(3)19-15-9-7-5-2/h14,16-17,20-27,29H,4-13,15,18-19,28H2,1-3H3/t29-/m1/s1