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

Systemtic Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)-2-methyl-prop-2-enoyl]oxyethanesulfonate Openeye Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)-2-methyl-prop-2-enoyl]oxyethanesulfonate CAS Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)-2-methyl-1-oxoprop-2-enoxy]ethanesulfonate IUPAC Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)-2-methylprop-2-enoyl]oxyethanesulfonate Traditional Name: sodium 2-[(E)-3-(4-cetyloxyphenyl)-2-methyl-acryloyl]oxyethanesulfonate Formula: C28H45NaO6S MolecularWeight: 532.70807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=C(C)C(=O)OCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C)/C(=O)OCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H46O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-33-27-19-17-26(18-20-27)24-25(2)28(29)34-22-23-35(30,31)32;/h17-20,24H,3-16,21-23H2,1-2H3,(H,30,31,32);/q;+1/p-1/b25-24+;