3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate

Systemtic Name: 3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate Openeye Name: 3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-[2-[3-(4-cyano-2-nitrophenoxy)prop-1-ynyl]phenyl]prop-2-ynyl ester IUPAC Name: 3-[2-[3-(4-cyano-2-nitrophenoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynyl ester Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC#CC1=CC=CC=C1C#CCOC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCC#CC1=CC=CC=C1C#CCOC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O6S/c1-29(25,26)28-13-5-9-18-7-3-2-6-17(18)8-4-12-27-20-11-10-16(15-21)14-19(20)22(23)24/h2-3,6-7,10-11,14H,12-13H2,1H3