[9-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanol

Systemtic Name: [9-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanol Openeye Name: [9-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanol CAS Name: [9-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanol IUPAC Name: [9-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanol Traditional Name: (9-methylol-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)methanol Formula: C16H16O2S MolecularWeight: 272.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2S/c17-9-11-2-6-15-14(7-11)5-4-13-3-1-12(10-18)8-16(13)19-15/h1-3,6-8,17-18H,4-5,9-10H2