[3-[16,17-bis(oxidanyl)pentacosyl]-5-oxidanyl-phenyl] hydrogen sulfate

Systemtic Name: [3-[16,17-bis(oxidanyl)pentacosyl]-5-oxidanyl-phenyl] hydrogen sulfate Openeye Name: [3-(16,17-dihydroxypentacosyl)-5-hydroxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-(16,17-dihydroxypentacosyl)-5-hydroxyphenyl] ester IUPAC Name: [3-(16,17-dihydroxypentacosyl)-5-hydroxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-(16,17-dihydroxypentacosyl)-5-hydroxy-phenyl] ester Formula: C31H56O7S MolecularWeight: 572.83714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)O)O)O

InChI

InChI=1S/C31H56O7S/c1-2-3-4-5-16-19-22-30(33)31(34)23-20-17-14-12-10-8-6-7-9-11-13-15-18-21-27-24-28(32)26-29(25-27)38-39(35,36)37/h24-26,30-34H,2-23H2,1H3,(H,35,36,37)