2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-1-yl)pentanoate

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-1-yl)pentanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzoxepin-1-yl)pentanoate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzoxepin-1-yl)pentanoate IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzoxepin-1-yl)pentanoate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzoxepin-1-yl)valerate Formula: C19H17O4- MolecularWeight: 309.33588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C2C(=CC=C1)OCC3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

CCCC(C1=C2C(=CC=C1)OCC3=CC=CC=C3C2=O)C(=O)[O-]

InChI

InChI=1S/C19H18O4/c1-2-6-15(19(21)22)14-9-5-10-16-17(14)18(20)13-8-4-3-7-12(13)11-23-16/h3-5,7-10,15H,2,6,11H2,1H3,(H,21,22)/p-1