(E)-3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoic acid Openeye Name: (E)-3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoic acid CAS Name: (E)-3-cycloheptyl-2-(4-methylsulfonylphenyl)-2-propenoic acid IUPAC Name: (E)-3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoic acid Traditional Name: (E)-3-cycloheptyl-2-(4-mesylphenyl)acrylic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=CC2CCCCCC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C\C2CCCCCC2)/C(=O)O

InChI

InChI=1S/C17H22O4S/c1-22(20,21)15-10-8-14(9-11-15)16(17(18)19)12-13-6-4-2-3-5-7-13/h8-13H,2-7H2,1H3,(H,18,19)/b16-12+