[(Z)-4-(4-bromophenyl)sulfonyl-3-deuterio-hex-3-en-2-yl] ethanoate

Systemtic Name: [(Z)-4-(4-bromophenyl)sulfonyl-3-deuterio-hex-3-en-2-yl] ethanoate Openeye Name: [(Z)-3-(4-bromophenyl)sulfonyl-2-deuterio-1-methyl-pent-2-enyl] acetate CAS Name: acetic acid [(Z)-4-(4-bromophenyl)sulfonyl-3-deuteriohex-3-en-2-yl] ester IUPAC Name: [(Z)-4-(4-bromophenyl)sulfonyl-3-deuteriohex-3-en-2-yl] acetate Traditional Name: acetic acid [(Z)-3-brosyl-2-deuterio-1-methyl-pent-2-enyl] ester Formula: C14H17BrO4S MolecularWeight: 362.257542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

[2H]/C(=C(\CC)/S(=O)(=O)C1=CC=C(C=C1)Br)/C(C)OC(=O)C

InChI

InChI=1S/C14H17BrO4S/c1-4-13(9-10(2)19-11(3)16)20(17,18)14-7-5-12(15)6-8-14/h5-10H,4H2,1-3H3/b13-9-/i9D