(phenylmethyl) 11-(iodanylmethyl)-10-methoxy-6-oxidanylidene-1-phenylmethoxy-11H-benzo[c][1]benzoxepine-3-carboxylate

Systemtic Name: (phenylmethyl) 11-(iodanylmethyl)-10-methoxy-6-oxidanylidene-1-phenylmethoxy-11H-benzo[c][1]benzoxepine-3-carboxylate Openeye Name: benzyl 1-benzyloxy-11-(iodomethyl)-10-methoxy-6-oxo-11H-benzo[c][1]benzoxepine-3-carboxylate CAS Name: 11-(iodomethyl)-10-methoxy-6-oxo-1-phenylmethoxy-11H-benzo[c][1]benzoxepin-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 11-(iodomethyl)-10-methoxy-6-oxo-1-phenylmethoxy-11H-benzo[c][1]benzoxepine-3-carboxylate Traditional Name: 1-benzoxy-11-(iodomethyl)-6-keto-10-methoxy-11H-benzo[c][1]benzoxepin-3-carboxylic acid benzyl ester Formula: C31H25IO6 MolecularWeight: 620.43107

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)OC2=O)CI

Isomeric SMILES

COC1=CC=CC2=C1C(C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)OC2=O)CI

InChI

InChI=1S/C31H25IO6/c1-35-25-14-8-13-23-28(25)24(17-32)29-26(36-18-20-9-4-2-5-10-20)15-22(16-27(29)38-31(23)34)30(33)37-19-21-11-6-3-7-12-21/h2-16,24H,17-19H2,1H3