2-[2-(6-propan-2-yl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(6-propan-2-yl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(6-isopropyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(6-propan-2-yl-1,3-benzodioxol-5-yl)ethylthio]acetic acid IUPAC Name: 2-[2-(6-propan-2-yl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(6-isopropyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1CCSCC(=O)O)OCO2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1CCSCC(=O)O)OCO2

InChI

InChI=1S/C14H18O4S/c1-9(2)11-6-13-12(17-8-18-13)5-10(11)3-4-19-7-14(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)