5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-furoic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC=C(O3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC=C(O3)C(=O)O)OC1

InChI

InChI=1S/C15H14O5S/c16-15(17)13-4-2-10(20-13)9-21-11-3-5-12-14(8-11)19-7-1-6-18-12/h2-5,8H,1,6-7,9H2,(H,16,17)