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

Systemtic Name: 2-[2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(6-benzyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]ethylthio]acetic acid IUPAC Name: 2-[2-(6-benzyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(6-benzyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CCSCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CCSCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18O4S/c19-18(20)11-23-7-6-14-9-16-17(22-12-21-16)10-15(14)8-13-4-2-1-3-5-13/h1-5,9-10H,6-8,11-12H2,(H,19,20)