ethyl 2-[(3-bromophenyl)methyl]-6-methylsulfonyloxy-hexanoate

Systemtic Name: ethyl 2-[(3-bromophenyl)methyl]-6-methylsulfonyloxy-hexanoate Openeye Name: ethyl 2-[(3-bromophenyl)methyl]-6-methylsulfonyloxy-hexanoate CAS Name: 2-[(3-bromophenyl)methyl]-6-methylsulfonyloxyhexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)methyl]-6-methylsulfonyloxyhexanoate Traditional Name: 2-(3-bromobenzyl)-6-methylsulfonyloxy-hexanoic acid ethyl ester Formula: C16H23BrO5S MolecularWeight: 407.31982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCOS(=O)(=O)C)CC1=CC(=CC=C1)Br

Isomeric SMILES

CCOC(=O)C(CCCCOS(=O)(=O)C)CC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H23BrO5S/c1-3-21-16(18)14(8-4-5-10-22-23(2,19)20)11-13-7-6-9-15(17)12-13/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3