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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylate Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylate CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophenecarboxylate IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thenoate Formula: C14H11O4S- MolecularWeight: 275.29974

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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)/p-1