1-(bromomethyl)-5-propyl-1,3,4,5,7,8-hexahydro-2-benzothiepine

Systemtic Name: 1-(bromomethyl)-5-propyl-1,3,4,5,7,8-hexahydro-2-benzothiepine Openeye Name: 1-(bromomethyl)-5-propyl-1,3,4,5,7,8-hexahydro-2-benzothiepine CAS Name: 1-(bromomethyl)-5-propyl-1,3,4,5,7,8-hexahydro-2-benzothiepin IUPAC Name: 1-(bromomethyl)-5-propyl-1,3,4,5,7,8-hexahydro-2-benzothiepine Traditional Name: 1-(bromomethyl)-5-propyl-1,3,4,5,7,8-hexahydro-2-benzothiepin Formula: C14H21BrS MolecularWeight: 301.28554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCSC(C2=CCCC=C12)CBr

Isomeric SMILES

CCCC1CCSC(C2=CCCC=C12)CBr

InChI

InChI=1S/C14H21BrS/c1-2-5-11-8-9-16-14(10-15)13-7-4-3-6-12(11)13/h6-7,11,14H,2-5,8-10H2,1H3