4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-nitro-1-octan-2-yloxy-benzene

Systemtic Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-nitro-1-octan-2-yloxy-benzene Openeye Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(1-methylheptoxy)-2-nitro-benzene CAS Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-nitro-1-octan-2-yloxybenzene IUPAC Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-nitro-1-octan-2-yloxybenzene Traditional Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(1-methylheptoxy)-2-nitro-benzene Formula: C38H49NO4 MolecularWeight: 583.79996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)OC(C)CCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)OC(C)CCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C38H49NO4/c1-4-6-8-10-11-12-13-15-29-42-36-26-24-35(25-27-36)34-22-19-32(20-23-34)17-18-33-21-28-38(37(30-33)39(40)41)43-31(3)16-14-9-7-5-2/h19-28,30-31H,4-16,29H2,1-3H3