11-(phenylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-(phenylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-benzylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(phenylmethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-benzylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(benzylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C22H18O3S MolecularWeight: 362.44152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18O3S/c23-22(24)16-10-11-20-19(12-16)21(26-14-15-6-2-1-3-7-15)18-9-5-4-8-17(18)13-25-20/h1-12,21H,13-14H2,(H,23,24)