2-[(4-butoxyphenyl)sulfonylmethyl]prop-2-enoic acid

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylmethyl]prop-2-enoic acid Openeye Name: 2-[(4-butoxyphenyl)sulfonylmethyl]prop-2-enoic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-propenoic acid IUPAC Name: 2-[(4-butoxyphenyl)sulfonylmethyl]prop-2-enoic acid Traditional Name: 2-[(4-butoxyphenyl)sulfonylmethyl]acrylic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)O

InChI

InChI=1S/C14H18O5S/c1-3-4-9-19-12-5-7-13(8-6-12)20(17,18)10-11(2)14(15)16/h5-8H,2-4,9-10H2,1H3,(H,15,16)