2-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)ethanoic acid

Systemtic Name: 2-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)ethanoic acid Openeye Name: 2-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)acetic acid CAS Name: 2-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)acetic acid IUPAC Name: 2-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)acetic acid Traditional Name: 2-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)acetic acid Formula: C11H12O4 MolecularWeight: 208.21058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CC(=O)O)OOC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)CC(=O)O)OOC1

InChI

InChI=1S/C11H12O4/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-14-15-10/h3-4,6H,1-2,5,7H2,(H,12,13)