methyl 8-methylsulfonyl-12-phenylmethoxy-13-propoxy-tridecanoate

Systemtic Name: methyl 8-methylsulfonyl-12-phenylmethoxy-13-propoxy-tridecanoate Openeye Name: methyl 12-benzyloxy-8-methylsulfonyl-13-propoxy-tridecanoate CAS Name: 8-methylsulfonyl-12-phenylmethoxy-13-propoxytridecanoic acid methyl ester IUPAC Name: methyl 8-methylsulfonyl-12-phenylmethoxy-13-propoxytridecanoate Traditional Name: 12-benzoxy-8-mesyl-13-propoxy-tridecanoic acid methyl ester Formula: C25H42O6S MolecularWeight: 470.66238

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(CCCC(CCCCCCC(=O)OC)S(=O)(=O)C)OCC1=CC=CC=C1

Isomeric SMILES

CCCOCC(CCCC(CCCCCCC(=O)OC)S(=O)(=O)C)OCC1=CC=CC=C1

InChI

InChI=1S/C25H42O6S/c1-4-19-30-21-23(31-20-22-13-8-7-9-14-22)15-12-17-24(32(3,27)28)16-10-5-6-11-18-25(26)29-2/h7-9,13-14,23-24H,4-6,10-12,15-21H2,1-3H3