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12-oxabicyclo[21.4.0]heptacosa-1(23),24,26-triene-24-sulfonic acid

12-oxabicyclo[21.4.0]heptacosa-1(23),24,26-triene-24-sulfonic acid

Systemtic Name:12-oxabicyclo[21.4.0]heptacosa-1(23),24,26-triene-24-sulfonic acid
Openeye Name:12-oxabicyclo[21.4.0]heptacosa-1(23),24,26-triene-24-sulfonic acid
CAS Name:12-oxabicyclo[21.4.0]heptacosa-1(23),24,26-triene-24-sulfonic acid
IUPAC Name:12-oxabicyclo[21.4.0]heptacosa-1(23),24,26-triene-24-sulfonic acid
Traditional Name:12-oxabicyclo[21.4.0]heptacosa-1(23),24,26-triene-24-sulfonic acid
Formula: C26H44O4S
MolecularWeight: 452.69016
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCOCCCCCCCCCCC2=C(CCCC1)C=CC=C2S(=O)(=O)O


Isomeric SMILES

C1CCCCCOCCCCCCCCCCC2=C(CCCC1)C=CC=C2S(=O)(=O)O


InChI

InChI=1S/C26H44O4S/c27-31(28,29)26-21-17-19-24-18-13-9-5-1-3-7-11-15-22-30-23-16-12-8-4-2-6-10-14-20-25(24)26/h17,19,21H,1-16,18,20,22-23H2,(H,27,28,29)


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