7,8-dimethoxy-5-oxidanyl-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid

Systemtic Name: 7,8-dimethoxy-5-oxidanyl-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid Openeye Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid CAS Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzothiepin-4-carboxylic acid IUPAC Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid Traditional Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzothiepin-4-carboxylic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(CCS2)C(=O)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(C(CCS2)C(=O)O)O)OC

InChI

InChI=1S/C13H16O5S/c1-17-9-5-8-11(6-10(9)18-2)19-4-3-7(12(8)14)13(15)16/h5-7,12,14H,3-4H2,1-2H3,(H,15,16)