2-(9-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid

Systemtic Name: 2-(9-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid Openeye Name: 2-(9-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid CAS Name: 2-(9-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid IUPAC Name: 2-(9-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid Traditional Name: 2-(9-chloro-5-keto-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid Formula: C12H11ClO3S MolecularWeight: 270.73194

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=CC=C2Cl)C(=O)C1CC(=O)O

Isomeric SMILES

C1CSC2=C(C=CC=C2Cl)C(=O)C1CC(=O)O

InChI

InChI=1S/C12H11ClO3S/c13-9-3-1-2-8-11(16)7(6-10(14)15)4-5-17-12(8)9/h1-3,7H,4-6H2,(H,14,15)