3-(prop-2-enoxymethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one

Systemtic Name: 3-(prop-2-enoxymethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Openeye Name: 3-(allyloxymethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one CAS Name: 3-(prop-2-enoxymethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one IUPAC Name: 3-(prop-2-enoxymethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Traditional Name: 3-(allyloxymethyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Formula: C13H14O3S MolecularWeight: 250.31346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC1CSC2=CC=CC=C2C(=O)O1

Isomeric SMILES

C=CCOCC1CSC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C13H14O3S/c1-2-7-15-8-10-9-17-12-6-4-3-5-11(12)13(14)16-10/h2-6,10H,1,7-9H2