8-octadecoxypyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-octadecoxypyrene-1,3,6-trisulfonic acid Openeye Name: 8-octadecoxypyrene-1,3,6-trisulfonic acid CAS Name: 8-octadecoxypyrene-1,3,6-trisulfonic acid IUPAC Name: 8-octadecoxypyrene-1,3,6-trisulfonic acid Traditional Name: 8-stearyloxypyrene-1,3,6-trisulfonic acid Formula: C34H46O10S3 MolecularWeight: 710.91804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H46O10S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-44-29-23-30(45(35,36)37)26-20-21-28-32(47(41,42)43)24-31(46(38,39)40)27-19-18-25(29)33(26)34(27)28/h18-21,23-24H,2-17,22H2,1H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)