methyl (E)-2-methyl-7-[2-[3-(phenylsulfonyl)prop-1-ynyl]phenyl]hept-2-en-6-ynoate

Systemtic Name: methyl (E)-2-methyl-7-[2-[3-(phenylsulfonyl)prop-1-ynyl]phenyl]hept-2-en-6-ynoate Openeye Name: methyl (E)-7-[2-[3-(benzenesulfonyl)prop-1-ynyl]phenyl]-2-methyl-hept-2-en-6-ynoate CAS Name: (E)-7-[2-[3-(benzenesulfonyl)prop-1-ynyl]phenyl]-2-methylhept-2-en-6-ynoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[3-(benzenesulfonyl)prop-1-ynyl]phenyl]-2-methylhept-2-en-6-ynoate Traditional Name: (E)-7-[2-(3-besylprop-1-ynyl)phenyl]-2-methyl-hept-2-en-6-ynoic acid methyl ester Formula: C24H22O4S MolecularWeight: 406.49408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC#CC1=CC=CC=C1C#CCS(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C/C(=C\CCC#CC1=CC=CC=C1C#CCS(=O)(=O)C2=CC=CC=C2)/C(=O)OC

InChI

InChI=1S/C24H22O4S/c1-20(24(25)28-2)12-5-3-6-13-21-14-9-10-15-22(21)16-11-19-29(26,27)23-17-7-4-8-18-23/h4,7-10,12,14-15,17-18H,3,5,19H2,1-2H3/b20-12+