[(14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate

Systemtic Name: [(14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate Openeye Name: [(13Z,19Z)-1-(sulfooxymethyl)docosa-13,19-dien-2,4,9,11,21-pentaynyl] hydrogen sulfate CAS Name: sulfuric acid [(14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] ester IUPAC Name: [(14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(13Z,19Z)-1-(sulfoxymethyl)docosa-13,19-dien-2,4,9,11,21-pentaynyl] ester Formula: C23H24O8S2 MolecularWeight: 492.56186

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Descriptors Computed from Structure

Canonical SMILES:

C#CC=CCCCCC=CC#CC#CCCCC#CC#CC(COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C#C/C=C\CCCC/C=C\C#CC#CCCCC#CC#CC(COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C23H24O8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(31-33(27,28)29)22-30-32(24,25)26/h1,3-4,9-10,23H,5-8,15-17,22H2,(H,24,25,26)(H,27,28,29)/b4-3-,10-9-