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

Systemtic Name: ethyl 8-ethanoyl-13-(3-methylsulfonylphenoxy)-12-oxidanyl-tridecanoate Openeye Name: ethyl 8-acetyl-12-hydroxy-13-(3-methylsulfonylphenoxy)tridecanoate CAS Name: 8-acetyl-12-hydroxy-13-(3-methylsulfonylphenoxy)tridecanoic acid ethyl ester IUPAC Name: ethyl 8-acetyl-12-hydroxy-13-(3-methylsulfonylphenoxy)tridecanoate Traditional Name: 8-acetyl-12-hydroxy-13-(3-mesylphenoxy)tridecanoic acid ethyl ester Formula: C24H38O7S MolecularWeight: 470.61932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(CCCC(COC1=CC(=CC=C1)S(=O)(=O)C)O)C(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCC(CCCC(COC1=CC(=CC=C1)S(=O)(=O)C)O)C(=O)C

InChI

InChI=1S/C24H38O7S/c1-4-30-24(27)16-8-6-5-7-11-20(19(2)25)12-9-13-21(26)18-31-22-14-10-15-23(17-22)32(3,28)29/h10,14-15,17,20-21,26H,4-9,11-13,16,18H2,1-3H3