1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-nitrophenyl)benzene

Systemtic Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-nitrophenyl)benzene Openeye Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-nitrophenyl)benzene CAS Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-nitrophenyl)benzene IUPAC Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-nitrophenyl)benzene Traditional Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-nitrophenyl)benzene Formula: C35H36NO3P MolecularWeight: 549.639001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC

Isomeric SMILES

CCCCC#CC1=C(C=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC

InChI

InChI=1S/C35H36NO3P/c1-3-5-7-14-20-34-30(15-6-4-2)25-28(26-35(34)29-21-23-31(24-22-29)36(37)38)27-40(39,32-16-10-8-11-17-32)33-18-12-9-13-19-33/h8-13,16-19,21-26H,3-7,15,27H2,1-2H3