2-(7-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid

Systemtic Name: 2-(7-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid Openeye Name: 2-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid CAS Name: 2-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid IUPAC Name: 2-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid Traditional Name: 2-(7-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=C(C=C2)Cl)C(=O)C1CC(=O)O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)Cl)C(=O)C1CC(=O)O

InChI

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