4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-keto-prop-1-enyl]benzoic acid Formula: C19H16O5 MolecularWeight: 324.32734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)OC1

InChI

InChI=1S/C19H16O5/c20-16(8-4-13-2-5-14(6-3-13)19(21)22)15-7-9-17-18(12-15)24-11-1-10-23-17/h2-9,12H,1,10-11H2,(H,21,22)/b8-4+