7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-(3H-1,2-benzodioxol-6-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C18H14O5 MolecularWeight: 310.30076

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC4=C(COO4)C=C3

Isomeric SMILES

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC4=C(COO4)C=C3

InChI

InChI=1S/C18H14O5/c19-18(20)13-5-6-21-16-4-3-11(7-15(16)8-13)12-1-2-14-10-22-23-17(14)9-12/h1-4,7-9H,5-6,10H2,(H,19,20)