S-octyl (E)-3-(4-bromophenyl)prop-2-enethioate

Systemtic Name: S-octyl (E)-3-(4-bromophenyl)prop-2-enethioate Openeye Name: S-octyl (E)-3-(4-bromophenyl)prop-2-enethioate CAS Name: (E)-3-(4-bromophenyl)-2-propenethioic acid S-octyl ester IUPAC Name: S-octyl (E)-3-(4-bromophenyl)prop-2-enethioate Traditional Name: (E)-3-(4-bromophenyl)prop-2-enethioic acid S-octyl ester Formula: C17H23BrOS MolecularWeight: 355.33292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C=CC1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCCCCSC(=O)/C=C/C1=CC=C(C=C1)Br

InChI

InChI=1S/C17H23BrOS/c1-2-3-4-5-6-7-14-20-17(19)13-10-15-8-11-16(18)12-9-15/h8-13H,2-7,14H2,1H3/b13-10+