3-[2-[3-(anthracen-9-ylmethoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate

Systemtic Name: 3-[2-[3-(anthracen-9-ylmethoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate Openeye Name: 3-[2-[3-(9-anthrylmethoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-[2-[3-(9-anthracenylmethoxy)prop-1-ynyl]phenyl]prop-2-ynyl ester IUPAC Name: 3-[2-[3-(anthracen-9-ylmethoxy)prop-1-ynyl]phenyl]prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-[2-[3-(9-anthrylmethoxy)prop-1-ynyl]phenyl]prop-2-ynyl ester Formula: C28H22O4S MolecularWeight: 454.53688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC#CC1=CC=CC=C1C#CCOCC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CS(=O)(=O)OCC#CC1=CC=CC=C1C#CCOCC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C28H22O4S/c1-33(29,30)32-19-9-15-23-11-3-2-10-22(23)14-8-18-31-21-28-26-16-6-4-12-24(26)20-25-13-5-7-17-27(25)28/h2-7,10-13,16-17,20H,18-19,21H2,1H3