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cyclohexa-1,3-dien-1-yl (3-hexadecoxyphenyl) hydrogen phosphate

cyclohexa-1,3-dien-1-yl (3-hexadecoxyphenyl) hydrogen phosphate

Systemtic Name:cyclohexa-1,3-dien-1-yl (3-hexadecoxyphenyl) hydrogen phosphate
Openeye Name:cyclohexa-1,3-dien-1-yl (3-hexadecoxyphenyl) hydrogen phosphate
CAS Name:1-cyclohexa-1,3-dienyl (3-hexadecoxyphenyl) hydrogen phosphate
IUPAC Name:cyclohexa-1,3-dien-1-yl (3-hexadecoxyphenyl) hydrogen phosphate
Traditional Name:(3-cetyloxyphenyl) cyclohexa-1,3-dien-1-yl hydrogen phosphate
Formula: C28H45O5P
MolecularWeight: 492.627661
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CCC2


Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CCC2


InChI

InChI=1S/C28H45O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-31-27-22-19-23-28(25-27)33-34(29,30)32-26-20-16-15-17-21-26/h15-16,19-20,22-23,25H,2-14,17-18,21,24H2,1H3,(H,29,30)


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