4-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxo-butanoic acid CAS Name: 4-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxobutanoic acid IUPAC Name: 4-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxobutanoic acid Traditional Name: 4-(8-chloro-11-keto-6H-benzo[c][1]benzothiepin-3-yl)-4-keto-butyric acid Formula: C18H13ClO4S MolecularWeight: 360.81142

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Cl)C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)Cl)C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H13ClO4S/c19-12-2-4-13-11(7-12)9-24-16-8-10(1-3-14(16)18(13)23)15(20)5-6-17(21)22/h1-4,7-8H,5-6,9H2,(H,21,22)