3-hexyl-2,3-dihydro-4,1-benzoxathiepin-5-one

Systemtic Name: 3-hexyl-2,3-dihydro-4,1-benzoxathiepin-5-one Openeye Name: 3-hexyl-2,3-dihydro-4,1-benzoxathiepin-5-one CAS Name: 3-hexyl-2,3-dihydro-4,1-benzoxathiepin-5-one IUPAC Name: 3-hexyl-2,3-dihydro-4,1-benzoxathiepin-5-one Traditional Name: 3-hexyl-2,3-dihydro-4,1-benzoxathiepin-5-one Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CSC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCCCCCC1CSC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C15H20O2S/c1-2-3-4-5-8-12-11-18-14-10-7-6-9-13(14)15(16)17-12/h6-7,9-10,12H,2-5,8,11H2,1H3