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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methyl-propanoic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methyl-propanoic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-methylpropanoic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methylpropanoic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-methyl-propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC2=C(C=C1)OCCCO2)C(=O)O

Isomeric SMILES

CC(CSC1=CC2=C(C=C1)OCCCO2)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-9(13(14)15)8-18-10-3-4-11-12(7-10)17-6-2-5-16-11/h3-4,7,9H,2,5-6,8H2,1H3,(H,14,15)