8-ethanoyl-13-(4-fluorophenyl)sulfanyl-12-oxidanyl-tridecanoic acid

Systemtic Name: 8-ethanoyl-13-(4-fluorophenyl)sulfanyl-12-oxidanyl-tridecanoic acid Openeye Name: 8-acetyl-13-(4-fluorophenyl)sulfanyl-12-hydroxy-tridecanoic acid CAS Name: 8-acetyl-13-[(4-fluorophenyl)thio]-12-hydroxytridecanoic acid IUPAC Name: 8-acetyl-13-(4-fluorophenyl)sulfanyl-12-hydroxytridecanoic acid Traditional Name: 8-acetyl-13-[(4-fluorophenyl)thio]-12-hydroxy-tridecanoic acid Formula: C21H31FO4S MolecularWeight: 398.531843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCC(=O)O)CCCC(CSC1=CC=C(C=C1)F)O

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)O)CCCC(CSC1=CC=C(C=C1)F)O

InChI

InChI=1S/C21H31FO4S/c1-16(23)17(7-4-2-3-5-10-21(25)26)8-6-9-19(24)15-27-20-13-11-18(22)12-14-20/h11-14,17,19,24H,2-10,15H2,1H3,(H,25,26)