2-(4-methylphenyl)sulfonyl-7-phenyl-hept-6-ynoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-7-phenyl-hept-6-ynoic acid Openeye Name: 7-phenyl-2-(p-tolylsulfonyl)hept-6-ynoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-7-phenyl-6-heptynoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-7-phenylhept-6-ynoic acid Traditional Name: 7-phenyl-2-tosyl-hept-6-ynoic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC#CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC#CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H20O4S/c1-16-12-14-18(15-13-16)25(23,24)19(20(21)22)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-15,19H,3,7,11H2,1H3,(H,21,22)