1-hexadecoxy-5-nitro-4-phenylmethoxy-2-(2,4,4-trimethylpentan-2-yl)benzene

Systemtic Name: 1-hexadecoxy-5-nitro-4-phenylmethoxy-2-(2,4,4-trimethylpentan-2-yl)benzene Openeye Name: 1-benzyloxy-4-hexadecoxy-2-nitro-5-(1,1,3,3-tetramethylbutyl)benzene CAS Name: 1-hexadecoxy-5-nitro-4-phenylmethoxy-2-(2,4,4-trimethylpentan-2-yl)benzene IUPAC Name: 1-hexadecoxy-5-nitro-4-phenylmethoxy-2-(2,4,4-trimethylpentan-2-yl)benzene Traditional Name: 1-benzoxy-4-cetyloxy-2-nitro-5-(1,1,3,3-tetramethylbutyl)benzene Formula: C37H59NO4 MolecularWeight: 581.86866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C37H59NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-41-34-28-33(38(39)40)35(42-29-31-24-21-20-22-25-31)27-32(34)37(5,6)30-36(2,3)4/h20-22,24-25,27-28H,7-19,23,26,29-30H2,1-6H3