4,5,5a,9a-tetrahydro-1-benzothiepine-5-carbaldehyde

Systemtic Name: 4,5,5a,9a-tetrahydro-1-benzothiepine-5-carbaldehyde Openeye Name: 4,5,5a,9a-tetrahydro-1-benzothiepine-5-carbaldehyde CAS Name: 4,5,5a,9a-tetrahydro-1-benzothiepin-5-carboxaldehyde IUPAC Name: 4,5,5a,9a-tetrahydro-1-benzothiepine-5-carbaldehyde Traditional Name: 4,5,5a,9a-tetrahydro-1-benzothiepin-5-carbaldehyde Formula: C11H12OS MolecularWeight: 192.27738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CSC2C=CC=CC2C1C=O

Isomeric SMILES

C1C=CSC2C=CC=CC2C1C=O

InChI

InChI=1S/C11H12OS/c12-8-9-4-3-7-13-11-6-2-1-5-10(9)11/h1-3,5-11H,4H2