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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylic acid Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylic acid CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophenecarboxylic acid IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylic acid Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thenoic acid Formula: C14H12O4S MolecularWeight: 276.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC=C(S3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC=C(S3)C(=O)O)OC1

InChI

InChI=1S/C14H12O4S/c15-14(16)13-5-4-12(19-13)9-2-3-10-11(8-9)18-7-1-6-17-10/h2-5,8H,1,6-7H2,(H,15,16)