2,3,4,5-tetrahydro-1-benzothiepin-5-yl methanesulfonate

Systemtic Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-yl methanesulfonate Openeye Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-yl methanesulfonate CAS Name: methanesulfonic acid 2,3,4,5-tetrahydro-1-benzothiepin-5-yl ester IUPAC Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-yl methanesulfonate Traditional Name: methanesulfonic acid 2,3,4,5-tetrahydro-1-benzothiepin-5-yl ester Formula: C11H14O3S2 MolecularWeight: 258.35706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCCSC2=CC=CC=C12

Isomeric SMILES

CS(=O)(=O)OC1CCCSC2=CC=CC=C12

InChI

InChI=1S/C11H14O3S2/c1-16(12,13)14-10-6-4-8-15-11-7-3-2-5-9(10)11/h2-3,5,7,10H,4,6,8H2,1H3