5-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid

Systemtic Name: 5-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid Openeye Name: 5-(4-tert-butylphenyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid CAS Name: 5-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfonyl-4-pentynoic acid IUPAC Name: 5-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid Traditional Name: 5-(4-tert-butylphenyl)-2-tosyl-pent-4-ynoic acid Formula: C22H24O4S MolecularWeight: 384.48856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O4S/c1-16-8-14-19(15-9-16)27(25,26)20(21(23)24)7-5-6-17-10-12-18(13-11-17)22(2,3)4/h8-15,20H,7H2,1-4H3,(H,23,24)