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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(SC3=CC=CC=C3C2=O)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(SC3=CC=CC=C3C2=O)C(=O)CCC(=O)O

InChI

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