2-(9-chloranyl-3-fluoranyl-benzo[b][1]benzoxepin-5-yl)sulfanylethanoic acid

Systemtic Name: 2-(9-chloranyl-3-fluoranyl-benzo[b][1]benzoxepin-5-yl)sulfanylethanoic acid Openeye Name: 2-(9-chloro-3-fluoro-benzo[b][1]benzoxepin-5-yl)sulfanylacetic acid CAS Name: 2-[(9-chloro-3-fluoro-5-benzo[b][1]benzoxepinyl)thio]acetic acid IUPAC Name: 2-(9-chloro-3-fluorobenzo[b][1]benzoxepin-5-yl)sulfanylacetic acid Traditional Name: 2-[(9-chloro-3-fluoro-benzo[b][1]benzoxepin-5-yl)thio]acetic acid Formula: C16H10ClFO3S MolecularWeight: 336.765203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=CC3=C(O2)C=C(C=C3)Cl)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)C(=CC3=C(O2)C=C(C=C3)Cl)SCC(=O)O

InChI

InChI=1S/C16H10ClFO3S/c17-10-2-1-9-5-15(22-8-16(19)20)12-7-11(18)3-4-13(12)21-14(9)6-10/h1-7H,8H2,(H,19,20)