ethanoic acid; methyl 2-(3-methoxy-11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanoate

Systemtic Name: ethanoic acid; methyl 2-(3-methoxy-11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanoate Openeye Name: acetic acid; methyl 2-(3-methoxy-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate CAS Name: acetic acid; 2-(3-methoxy-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid methyl ester IUPAC Name: acetic acid; methyl 2-(3-methoxy-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate Traditional Name: acetic acid; 2-(11-keto-3-methoxy-6H-benzo[c][1]benzoxepin-2-yl)acetic acid methyl ester Formula: C20H20O7 MolecularWeight: 372.3686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=C2C(=C1)OCC3=CC=CC=C3C2=O)CC(=O)OC

Isomeric SMILES

CC(=O)O.COC1=C(C=C2C(=C1)OCC3=CC=CC=C3C2=O)CC(=O)OC

InChI

InChI=1S/C18H16O5.C2H4O2/c1-21-15-9-16-14(7-12(15)8-17(19)22-2)18(20)13-6-4-3-5-11(13)10-23-16;1-2(3)4/h3-7,9H,8,10H2,1-2H3;1H3,(H,3,4)