dimethyl (5S,6S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzoxepine-5,6-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzoxepine-5,6-dicarboxylate Openeye Name: dimethyl (5S,6S)-3-chloro-5,6-dihydrobenzo[b][1]benzoxepine-5,6-dicarboxylate CAS Name: (5S,6S)-3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-3-chloro-5,6-dihydrobenzo[b][1]benzoxepine-5,6-dicarboxylate Traditional Name: (5S,6S)-3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5,6-dicarboxylic acid dimethyl ester Formula: C18H15ClO5 MolecularWeight: 346.7617

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C13)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C2=C(C=CC(=C2)Cl)OC3=CC=CC=C13)C(=O)OC

InChI

InChI=1S/C18H15ClO5/c1-22-17(20)15-11-5-3-4-6-13(11)24-14-8-7-10(19)9-12(14)16(15)18(21)23-2/h3-9,15-16H,1-2H3/t15-,16-/m1/s1