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

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

Systemtic Name:2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanoic acid
Openeye Name:2-[(6-isopropyl-1,3-benzodioxol-5-yl)methylsulfanyl]acetic acid
CAS Name:2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)methylthio]acetic acid
IUPAC Name:2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)methylsulfanyl]acetic acid
Traditional Name:2-[(6-isopropyl-1,3-benzodioxol-5-yl)methylthio]acetic acid
Formula: C13H16O4S
MolecularWeight: 268.32874
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1CSCC(=O)O)OCO2


Isomeric SMILES

CC(C)C1=CC2=C(C=C1CSCC(=O)O)OCO2


InChI

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


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