2-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]oxyethanesulfonic acid

Systemtic Name: 2-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]oxyethanesulfonic acid Openeye Name: 2-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]oxyethanesulfonic acid CAS Name: 2-[(E)-3-(4-hexadecoxyphenyl)-1-oxoprop-2-enoxy]ethanesulfonic acid IUPAC Name: 2-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]oxyethanesulfonic acid Traditional Name: 2-[(E)-3-(4-cetyloxyphenyl)acryloyl]oxyethanesulfonic acid Formula: C27H44O6S MolecularWeight: 496.69966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC(=O)OCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)OCCS(=O)(=O)O

InChI

InChI=1S/C27H44O6S/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)/b21-18+