6-(2-methoxy-2-oxidanylidene-ethyl)-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxylic acid

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxylic acid Openeye Name: 6-(2-methoxy-2-oxo-ethyl)-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxylic acid CAS Name: 6-(2-methoxy-2-oxoethyl)-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxylic acid IUPAC Name: 6-(2-methoxy-2-oxoethyl)-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxylic acid Traditional Name: 6-(2-keto-2-methoxy-ethyl)-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxylic acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C13

Isomeric SMILES

COC(=O)CC1CC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C13

InChI

InChI=1S/C18H16O5/c1-22-17(19)10-12-9-13-8-11(18(20)21)6-7-15(13)23-16-5-3-2-4-14(12)16/h2-8,12H,9-10H2,1H3,(H,20,21)