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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=C(C=CO3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=C(C=CO3)C(=O)O)OC1

InChI

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