sodium 2-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]oxyethanesulfonate

Systemtic Name: sodium 2-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]oxyethanesulfonate Openeye Name: sodium 2-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]oxyethanesulfonate CAS Name: sodium 2-[(E)-3-(4-butoxyphenyl)-1-oxoprop-2-enoxy]ethanesulfonate IUPAC Name: sodium 2-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]oxyethanesulfonate Traditional Name: sodium 2-[(E)-3-(4-butoxyphenyl)acryloyl]oxyethanesulfonate Formula: C15H19NaO6S MolecularWeight: 350.36253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)OCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)OCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H20O6S.Na/c1-2-3-10-20-14-7-4-13(5-8-14)6-9-15(16)21-11-12-22(17,18)19;/h4-9H,2-3,10-12H2,1H3,(H,17,18,19);/q;+1/p-1/b9-6+;