3-[(5-oxidanylidene-6H-benzo[b][1]benzothiepin-2-yl)carbonyloxy]propanoic acid

Systemtic Name: 3-[(5-oxidanylidene-6H-benzo[b][1]benzothiepin-2-yl)carbonyloxy]propanoic acid Openeye Name: 3-(5-oxo-6H-benzo[b][1]benzothiepine-2-carbonyl)oxypropanoic acid CAS Name: 3-[oxo-(5-oxo-6H-benzo[b][1]benzothiepin-2-yl)methoxy]propanoic acid IUPAC Name: 3-(5-oxo-6H-benzo[b][1]benzothiepine-2-carbonyl)oxypropanoic acid Traditional Name: 3-(5-keto-6H-benzo[b][1]benzothiepin-2-carbonyl)oxypropionic acid Formula: C18H14O5S MolecularWeight: 342.36576

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)C(=O)OCCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)C(=O)OCCC(=O)O

InChI

InChI=1S/C18H14O5S/c19-14-9-11-3-1-2-4-15(11)24-16-10-12(5-6-13(14)16)18(22)23-8-7-17(20)21/h1-6,10H,7-9H2,(H,20,21)