8-ethanoyl-13-(3-methylsulfonylphenoxy)-12-oxidanyl-tridecanoate

Systemtic Name: 8-ethanoyl-13-(3-methylsulfonylphenoxy)-12-oxidanyl-tridecanoate Openeye Name: 8-acetyl-12-hydroxy-13-(3-methylsulfonylphenoxy)tridecanoate CAS Name: 8-acetyl-12-hydroxy-13-(3-methylsulfonylphenoxy)tridecanoate IUPAC Name: 8-acetyl-12-hydroxy-13-(3-methylsulfonylphenoxy)tridecanoate Traditional Name: 8-acetyl-12-hydroxy-13-(3-mesylphenoxy)tridecanoate Formula: C22H33O7S- MolecularWeight: 441.55822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCC(=O)[O-])CCCC(COC1=CC(=CC=C1)S(=O)(=O)C)O

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)[O-])CCCC(COC1=CC(=CC=C1)S(=O)(=O)C)O

InChI

InChI=1S/C22H34O7S/c1-17(23)18(9-5-3-4-6-14-22(25)26)10-7-11-19(24)16-29-20-12-8-13-21(15-20)30(2,27)28/h8,12-13,15,18-19,24H,3-7,9-11,14,16H2,1-2H3,(H,25,26)/p-1