2-(7-chloranyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid

Systemtic Name: 2-(7-chloranyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Openeye Name: 2-(7-chloro-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid CAS Name: 2-(7-chloro-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid IUPAC Name: 2-(7-chloro-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Traditional Name: 2-(7-chloro-5-keto-6H-benzo[b][1]benzothiepin-3-yl)propionic acid Formula: C17H13ClO3S MolecularWeight: 332.80132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C(=CC=C3)Cl)C(=O)O

InChI

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