2-(3-chloranylbenzo[b][1]benzoxepin-5-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-chloranylbenzo[b][1]benzoxepin-5-yl)sulfanylethanoic acid Openeye Name: 2-(3-chlorobenzo[b][1]benzoxepin-5-yl)sulfanylacetic acid CAS Name: 2-[(3-chloro-5-benzo[b][1]benzoxepinyl)thio]acetic acid IUPAC Name: 2-(3-chlorobenzo[b][1]benzoxepin-5-yl)sulfanylacetic acid Traditional Name: 2-[(3-chlorobenzo[b][1]benzoxepin-5-yl)thio]acetic acid Formula: C16H11ClO3S MolecularWeight: 318.77474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=C(O2)C=CC(=C3)Cl)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=C(O2)C=CC(=C3)Cl)SCC(=O)O

InChI

InChI=1S/C16H11ClO3S/c17-11-5-6-14-12(8-11)15(21-9-16(18)19)7-10-3-1-2-4-13(10)20-14/h1-8H,9H2,(H,18,19)