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

Systemtic Name: sodium 2-[(E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoyl]oxyethanesulfonate Openeye Name: sodium 2-[(E)-3-(4-dodecoxyphenyl)-2-methyl-prop-2-enoyl]oxyethanesulfonate CAS Name: sodium 2-[(E)-3-(4-dodecoxyphenyl)-2-methyl-1-oxoprop-2-enoxy]ethanesulfonate IUPAC Name: sodium 2-[(E)-3-(4-dodecoxyphenyl)-2-methylprop-2-enoyl]oxyethanesulfonate Traditional Name: sodium 2-[(E)-3-(4-lauryloxyphenyl)-2-methyl-acryloyl]oxyethanesulfonate Formula: C24H37NaO6S MolecularWeight: 476.60175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=C(C)C(=O)OCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C)/C(=O)OCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H38O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-17-29-23-15-13-22(14-16-23)20-21(2)24(25)30-18-19-31(26,27)28;/h13-16,20H,3-12,17-19H2,1-2H3,(H,26,27,28);/q;+1/p-1/b21-20+;