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

Systemtic Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]oxyethanesulfonate Openeye Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]oxyethanesulfonate CAS Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)-1-oxoprop-2-enoxy]ethanesulfonate IUPAC Name: sodium 2-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]oxyethanesulfonate Traditional Name: sodium 2-[(E)-3-(4-cetyloxyphenyl)acryloyl]oxyethanesulfonate Formula: C27H43NaO6S MolecularWeight: 518.68149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-32-26-19-16-25(17-20-26)18-21-27(28)33-23-24-34(29,30)31;/h16-21H,2-15,22-24H2,1H3,(H,29,30,31);/q;+1/p-1/b21-18+;