5-bromanyl-1-(2-hydroxyethyloxymethyl)-1,3,4,5-tetrahydro-2-benzothiepin-7-ol

Systemtic Name: 5-bromanyl-1-(2-hydroxyethyloxymethyl)-1,3,4,5-tetrahydro-2-benzothiepin-7-ol Openeye Name: 5-bromo-1-(2-hydroxyethoxymethyl)-1,3,4,5-tetrahydro-2-benzothiepin-7-ol CAS Name: 5-bromo-1-(2-hydroxyethoxymethyl)-1,3,4,5-tetrahydro-2-benzothiepin-7-ol IUPAC Name: 5-bromo-1-(2-hydroxyethoxymethyl)-1,3,4,5-tetrahydro-2-benzothiepin-7-ol Traditional Name: 5-bromo-1-(2-hydroxyethoxymethyl)-1,3,4,5-tetrahydro-2-benzothiepin-7-ol Formula: C13H17BrO3S MolecularWeight: 333.24128

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C2=C(C1Br)C=C(C=C2)O)COCCO

Isomeric SMILES

C1CSC(C2=C(C1Br)C=C(C=C2)O)COCCO

InChI

InChI=1S/C13H17BrO3S/c14-12-3-6-18-13(8-17-5-4-15)10-2-1-9(16)7-11(10)12/h1-2,7,12-13,15-16H,3-6,8H2