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

Systemtic Name: 4-oxidanylidene-4-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)butanoic acid Openeye Name: 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoic acid CAS Name: 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoic acid IUPAC Name: 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoic acid Traditional Name: 4-keto-4-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)butyric acid Formula: C18H14O4S MolecularWeight: 326.36636

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H14O4S/c19-15(7-8-17(20)21)11-5-6-14-16(9-11)23-10-12-3-1-2-4-13(12)18(14)22/h1-6,9H,7-8,10H2,(H,20,21)