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

Systemtic Name: 5-(4-chlorophenyl)-2-phenylsulfanyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-phenylsulfanyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-(phenylthio)-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-phenylsulfanylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-(phenylthio)pent-4-ynoic acid Formula: C17H13ClO2S MolecularWeight: 316.80192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClO2S/c18-14-11-9-13(10-12-14)5-4-8-16(17(19)20)21-15-6-2-1-3-7-15/h1-3,6-7,9-12,16H,8H2,(H,19,20)