13-phenylsulfanyltridecanoic acid

Systemtic Name: 13-phenylsulfanyltridecanoic acid Openeye Name: 13-phenylsulfanyltridecanoic acid CAS Name: 13-(phenylthio)tridecanoic acid IUPAC Name: 13-phenylsulfanyltridecanoic acid Traditional Name: 13-(phenylthio)tridecanoic acid Formula: C19H30O2S MolecularWeight: 322.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C19H30O2S/c20-19(21)16-12-7-5-3-1-2-4-6-8-13-17-22-18-14-10-9-11-15-18/h9-11,14-15H,1-8,12-13,16-17H2,(H,20,21)