5-oxidanyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid

Systemtic Name: 5-oxidanyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid Openeye Name: 5-hydroxy-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid CAS Name: 5-hydroxy-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid IUPAC Name: 5-hydroxy-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid Traditional Name: 5-hydroxy-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid Formula: C11H12O3S MolecularWeight: 224.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)C(=O)O)SC1)O

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)C(=O)O)SC1)O

InChI

InChI=1S/C11H12O3S/c12-9-2-1-5-15-10-6-7(11(13)14)3-4-8(9)10/h3-4,6,9,12H,1-2,5H2,(H,13,14)