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

Systemtic Name: 2-[(E)-3-(4-hexadecoxyphenyl)-2-methyl-prop-2-enoyl]oxyethanesulfonic acid Openeye Name: 2-[(E)-3-(4-hexadecoxyphenyl)-2-methyl-prop-2-enoyl]oxyethanesulfonic acid CAS Name: 2-[(E)-3-(4-hexadecoxyphenyl)-2-methyl-1-oxoprop-2-enoxy]ethanesulfonic acid IUPAC Name: 2-[(E)-3-(4-hexadecoxyphenyl)-2-methylprop-2-enoyl]oxyethanesulfonic acid Traditional Name: 2-[(E)-3-(4-cetyloxyphenyl)-2-methyl-acryloyl]oxyethanesulfonic acid Formula: C28H46O6S MolecularWeight: 510.72624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O6S/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)/b25-24+