(E)-2-methyl-3-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-2-methyl-3-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]prop-2-enoic acid Openeye Name: (E)-2-methyl-3-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]prop-2-enoic acid CAS Name: (E)-2-methyl-3-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-2-propenoic acid IUPAC Name: (E)-2-methyl-3-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]-2-methyl-acrylic acid Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1C3=CC=C(C=C3)S(=O)(=O)C)OCO2)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC2=C(C=C1C3=CC=C(C=C3)S(=O)(=O)C)OCO2)/C(=O)O

InChI

InChI=1S/C18H16O6S/c1-11(18(19)20)7-13-8-16-17(24-10-23-16)9-15(13)12-3-5-14(6-4-12)25(2,21)22/h3-9H,10H2,1-2H3,(H,19,20)/b11-7+