3-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepine-7-carboxylic acid

Systemtic Name: 3-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepine-7-carboxylic acid Openeye Name: 3-methoxy-5-oxo-6H-benzo[b][1]benzothiepine-7-carboxylic acid CAS Name: 3-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-7-carboxylic acid IUPAC Name: 3-methoxy-5-oxo-6H-benzo[b][1]benzothiepine-7-carboxylic acid Traditional Name: 5-keto-3-methoxy-6H-benzo[b][1]benzothiepin-7-carboxylic acid Formula: C16H12O4S MolecularWeight: 300.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2=O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2=O)C(=O)O

InChI

InChI=1S/C16H12O4S/c1-20-9-5-6-15-12(7-9)13(17)8-11-10(16(18)19)3-2-4-14(11)21-15/h2-7H,8H2,1H3,(H,18,19)