4,5,5a,6-tetrahydro-3H-benzo[h][1]benzoxepin-2-one

Systemtic Name: 4,5,5a,6-tetrahydro-3H-benzo[h][1]benzoxepin-2-one Openeye Name: 4,5,5a,6-tetrahydro-3H-benzo[h][1]benzoxepin-2-one CAS Name: 4,5,5a,6-tetrahydro-3H-benzo[h][1]benzoxepin-2-one IUPAC Name: 4,5,5a,6-tetrahydro-3H-benzo[h][1]benzoxepin-2-one Traditional Name: 4,5,5a,6-tetrahydro-3H-benzo[h][1]benzoxepin-2-one Formula: C14H14O2 MolecularWeight: 214.25976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC3=CC=CC=C3C=C2OC(=O)C1

Isomeric SMILES

C1CC2CC3=CC=CC=C3C=C2OC(=O)C1

InChI

InChI=1S/C14H14O2/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)16-14/h1-2,4-5,9,12H,3,6-8H2