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

Systemtic Name: 2-[[6-(phenylmethyl)-1,3-benzodioxol-5-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[(6-benzyl-1,3-benzodioxol-5-yl)methylsulfanyl]acetic acid CAS Name: 2-[[6-(phenylmethyl)-1,3-benzodioxol-5-yl]methylthio]acetic acid IUPAC Name: 2-[(6-benzyl-1,3-benzodioxol-5-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(6-benzyl-1,3-benzodioxol-5-yl)methylthio]acetic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S/c18-17(19)10-22-9-14-8-16-15(20-11-21-16)7-13(14)6-12-4-2-1-3-5-12/h1-5,7-8H,6,9-11H2,(H,18,19)