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

Systemtic Name: 5-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Openeye Name: 5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid CAS Name: 5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid IUPAC Name: 5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Traditional Name: 5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid Formula: C15H12O3S MolecularWeight: 272.31898

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=C(C=C2)C(=O)O)SC3=CC=CC=C31)O

Isomeric SMILES

C1C(C2=C(C=C(C=C2)C(=O)O)SC3=CC=CC=C31)O

InChI

InChI=1S/C15H12O3S/c16-12-7-9-3-1-2-4-13(9)19-14-8-10(15(17)18)5-6-11(12)14/h1-6,8,12,16H,7H2,(H,17,18)