2-(1,3-benzodioxol-5-ylsulfanylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylsulfanylmethyl)-5-phenyl-pentanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylsulfanylmethyl)-5-phenyl-pentanoic acid CAS Name: 2-[(1,3-benzodioxol-5-ylthio)methyl]-5-phenylpentanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylsulfanylmethyl)-5-phenylpentanoic acid Traditional Name: 2-[(1,3-benzodioxol-5-ylthio)methyl]-5-phenyl-valeric acid Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)SCC(CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)SCC(CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H20O4S/c20-19(21)15(8-4-7-14-5-2-1-3-6-14)12-24-16-9-10-17-18(11-16)23-13-22-17/h1-3,5-6,9-11,15H,4,7-8,12-13H2,(H,20,21)