2-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid

Systemtic Name: 2-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid Openeye Name: 2-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid CAS Name: 2-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid IUPAC Name: 2-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid Traditional Name: 2-(8-chloro-11-keto-6H-benzo[c][1]benzothiepin-2-yl)propionic acid Formula: C17H13ClO3S MolecularWeight: 332.80132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SCC3=C(C2=O)C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SCC3=C(C2=O)C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C17H13ClO3S/c1-9(17(20)21)10-2-5-15-14(7-10)16(19)13-4-3-12(18)6-11(13)8-22-15/h2-7,9H,8H2,1H3,(H,20,21)