(Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)prop-2-enoic acid

Systemtic Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)prop-2-enoic acid Openeye Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)prop-2-enoic acid CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)-2-propenoic acid IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)prop-2-enoic acid Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-mesylphenyl)acrylic acid Formula: C17H14O6S MolecularWeight: 346.35446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)O

InChI

InChI=1S/C17H14O6S/c1-24(20,21)13-5-3-12(4-6-13)14(17(18)19)8-11-2-7-15-16(9-11)23-10-22-15/h2-9H,10H2,1H3,(H,18,19)/b14-8-