2-[phenyl-(6-propan-2-yl-1,3-benzodioxol-5-yl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[phenyl-(6-propan-2-yl-1,3-benzodioxol-5-yl)methyl]sulfanylethanoic acid Openeye Name: 2-[(6-isopropyl-1,3-benzodioxol-5-yl)-phenyl-methyl]sulfanylacetic acid CAS Name: 2-[[phenyl-(6-propan-2-yl-1,3-benzodioxol-5-yl)methyl]thio]acetic acid IUPAC Name: 2-[phenyl-(6-propan-2-yl-1,3-benzodioxol-5-yl)methyl]sulfanylacetic acid Traditional Name: 2-[[(6-isopropyl-1,3-benzodioxol-5-yl)-phenyl-methyl]thio]acetic acid Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1C(C3=CC=CC=C3)SCC(=O)O)OCO2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1C(C3=CC=CC=C3)SCC(=O)O)OCO2

InChI

InChI=1S/C19H20O4S/c1-12(2)14-8-16-17(23-11-22-16)9-15(14)19(24-10-18(20)21)13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3,(H,20,21)