11-phenylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-phenylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-phenylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(phenylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-phenylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(phenylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C21H16O3S MolecularWeight: 348.41494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C21H16O3S/c22-21(23)14-10-11-19-18(12-14)20(25-16-7-2-1-3-8-16)17-9-5-4-6-15(17)13-24-19/h1-12,20H,13H2,(H,22,23)