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[(6S)-17-[3,5-bis(oxidanyl)phenyl]heptadecan-6-yl] hydrogen sulfate

[(6S)-17-[3,5-bis(oxidanyl)phenyl]heptadecan-6-yl] hydrogen sulfate

Systemtic Name:[(6S)-17-[3,5-bis(oxidanyl)phenyl]heptadecan-6-yl] hydrogen sulfate
Openeye Name:[(1S)-12-(3,5-dihydroxyphenyl)-1-pentyl-dodecyl] hydrogen sulfate
CAS Name:sulfuric acid [(6S)-17-(3,5-dihydroxyphenyl)heptadecan-6-yl] ester
IUPAC Name:[(6S)-17-(3,5-dihydroxyphenyl)heptadecan-6-yl] hydrogen sulfate
Traditional Name:sulfuric acid [(1S)-1-amyl-12-(3,5-dihydroxyphenyl)dodecyl] ester
Formula: C23H40O6S
MolecularWeight: 444.6251
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCCCCCC1=CC(=CC(=C1)O)O)OS(=O)(=O)O


Isomeric SMILES

CCCCC[C@@H](CCCCCCCCCCCC1=CC(=CC(=C1)O)O)OS(=O)(=O)O


InChI

InChI=1S/C23H40O6S/c1-2-3-11-15-23(29-30(26,27)28)16-13-10-8-6-4-5-7-9-12-14-20-17-21(24)19-22(25)18-20/h17-19,23-25H,2-16H2,1H3,(H,26,27,28)/t23-/m0/s1


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