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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CSCCC2=CC=CC=C12

Isomeric SMILES

CS(=O)(=O)OC1CSCCC2=CC=CC=C12

InChI

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