5-(4-chlorophenyl)-2-phenethylsulfonyl-pent-4-ynoic acid

Systemtic Name: 5-(4-chlorophenyl)-2-phenethylsulfonyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-phenethylsulfonyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-phenethylsulfonyl-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-phenethylsulfonylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-phenethylsulfonyl-pent-4-ynoic acid Formula: C19H17ClO4S MolecularWeight: 376.85388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClO4S/c20-17-11-9-16(10-12-17)7-4-8-18(19(21)22)25(23,24)14-13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,8,13-14H2,(H,21,22)