2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)propanoate

Systemtic Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)propanoate Openeye Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)propanoate CAS Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)propanoate IUPAC Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)propanoate Traditional Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(11-keto-6H-benzo[c][1]benzoxepin-2-yl)propionate Formula: C22H21O6- MolecularWeight: 381.39854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C)(C2=CC3=C(C=C2)OCC4=CC=CC=C4C3=O)C(=O)[O-])C

Isomeric SMILES

CC1(OCC(O1)C(C)(C2=CC3=C(C=C2)OCC4=CC=CC=C4C3=O)C(=O)[O-])C

InChI

InChI=1S/C22H22O6/c1-21(2)27-12-18(28-21)22(3,20(24)25)14-8-9-17-16(10-14)19(23)15-7-5-4-6-13(15)11-26-17/h4-10,18H,11-12H2,1-3H3,(H,24,25)/p-1