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

Systemtic Name: 8-octanoyloxypyrene-1,3,6-trisulfonic acid Openeye Name: 8-octanoyloxypyrene-1,3,6-trisulfonic acid CAS Name: 8-(1-oxooctoxy)pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-octanoyloxypyrene-1,3,6-trisulfonic acid Traditional Name: 8-caprylyloxypyrene-1,3,6-trisulfonic acid Formula: C24H24O11S3 MolecularWeight: 584.63576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(=O)OC1=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/C24H24O11S3/c1-2-3-4-5-6-7-22(25)35-18-12-19(36(26,27)28)15-10-11-17-21(38(32,33)34)13-20(37(29,30)31)16-9-8-14(18)23(15)24(16)17/h8-13H,2-7H2,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)