3-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-methylol-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CO)SC3=C1C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)CO)SC3=C1C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H14O3S/c17-9-10-1-6-14-12(7-10)4-2-11-3-5-13(16(18)19)8-15(11)20-14/h1,3,5-8,17H,2,4,9H2,(H,18,19)