2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methyl-butanoic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methyl-butanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methyl-butanoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-methylbutanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-methylbutanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-methyl-butyric acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)C(C(=O)O)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H18O4S/c1-9(2)13(14(15)16)19-10-4-5-11-12(8-10)18-7-3-6-17-11/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,15,16)