3-(2-oxidanyl-5-phenyl-benzo[b][1]benzothiepin-6-yl)propanoic acid

Systemtic Name: 3-(2-oxidanyl-5-phenyl-benzo[b][1]benzothiepin-6-yl)propanoic acid Openeye Name: 3-(2-hydroxy-5-phenyl-benzo[b][1]benzothiepin-6-yl)propanoic acid CAS Name: 3-(2-hydroxy-5-phenyl-6-benzo[b][1]benzothiepinyl)propanoic acid IUPAC Name: 3-(2-hydroxy-5-phenylbenzo[b][1]benzothiepin-6-yl)propanoic acid Traditional Name: 3-(2-hydroxy-5-phenyl-benzo[b][1]benzothiepin-6-yl)propionic acid Formula: C23H18O3S MolecularWeight: 374.45222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3SC4=C2C=CC(=C4)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3SC4=C2C=CC(=C4)O)CCC(=O)O

InChI

InChI=1S/C23H18O3S/c24-16-10-11-19-21(14-16)27-20-9-5-4-8-17(20)18(12-13-22(25)26)23(19)15-6-2-1-3-7-15/h1-11,14,24H,12-13H2,(H,25,26)