5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid

Systemtic Name: 5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Openeye Name: 5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid CAS Name: 5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid IUPAC Name: 5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Traditional Name: 5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid Formula: C15H12O2S MolecularWeight: 256.31958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2SC3=C1C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2SC3=C1C=CC(=C3)C(=O)O

InChI

InChI=1S/C15H12O2S/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)18-14(11)9-12/h1-4,7-9H,5-6H2,(H,16,17)