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

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)pent-4-ynoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)pent-4-ynoic acid CAS Name: 2-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-4-pentynoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)pent-4-ynoic acid Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)pent-4-ynoic acid Formula: C21H21ClO4S MolecularWeight: 404.90704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO4S/c1-21(2,3)16-9-13-18(14-10-16)27(25,26)19(20(23)24)6-4-5-15-7-11-17(22)12-8-15/h7-14,19H,6H2,1-3H3,(H,23,24)