3-methylsulfanyl-5-octadecoxy-benzoic acid

Systemtic Name: 3-methylsulfanyl-5-octadecoxy-benzoic acid Openeye Name: 3-methylsulfanyl-5-octadecoxy-benzoic acid CAS Name: 3-(methylthio)-5-octadecoxybenzoic acid IUPAC Name: 3-methylsulfanyl-5-octadecoxybenzoic acid Traditional Name: 3-(methylthio)-5-stearyloxy-benzoic acid Formula: C26H44O3S MolecularWeight: 436.69076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)SC

InChI

InChI=1S/C26H44O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-24-20-23(26(27)28)21-25(22-24)30-2/h20-22H,3-19H2,1-2H3,(H,27,28)