1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanethiol

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanethiol Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanethiol CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanethiol IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanethiol Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanethiol Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)S

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)S

InChI

InChI=1S/C11H14O2S/c1-8(14)9-3-4-10-11(7-9)13-6-2-5-12-10/h3-4,7-8,14H,2,5-6H2,1H3