6-oxidanylidene-1,2-dihydrobenzo[b][4,1]benzoxathiepine-4-carbaldehyde

Systemtic Name: 6-oxidanylidene-1,2-dihydrobenzo[b][4,1]benzoxathiepine-4-carbaldehyde Openeye Name: 6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepine-4-carbaldehyde CAS Name: 6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-4-carboxaldehyde IUPAC Name: 6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepine-4-carbaldehyde Traditional Name: 6-keto-1,2-dihydrobenzo[b][4,1]benzoxathiepin-4-carbaldehyde Formula: C14H10O3S MolecularWeight: 258.2924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C1)C=O)OC(=O)C3=CC=CC=C3S2

Isomeric SMILES

C1CC2=C(C(=C1)C=O)OC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C14H10O3S/c15-8-9-4-3-7-12-13(9)17-14(16)10-5-1-2-6-11(10)18-12/h1-2,4-6,8H,3,7H2