7-(1,3-benzodioxol-5-yl)-2-methyl-2-methylsulfanyl-heptanoic acid

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-2-methylsulfanyl-heptanoic acid Openeye Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-2-methylsulfanyl-heptanoic acid CAS Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylthio)heptanoic acid IUPAC Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-2-methylsulfanylheptanoic acid Traditional Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylthio)enanthic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC1=CC2=C(C=C1)OCO2)(C(=O)O)SC

Isomeric SMILES

CC(CCCCCC1=CC2=C(C=C1)OCO2)(C(=O)O)SC

InChI

InChI=1S/C16H22O4S/c1-16(21-2,15(17)18)9-5-3-4-6-12-7-8-13-14(10-12)20-11-19-13/h7-8,10H,3-6,9,11H2,1-2H3,(H,17,18)