8-octadec-9-enoyloxypyrene-1,3,6-trisulfonate

Systemtic Name: 8-octadec-9-enoyloxypyrene-1,3,6-trisulfonate Openeye Name: 8-octadec-9-enoyloxypyrene-1,3,6-trisulfonate CAS Name: 8-(1-oxooctadec-9-enoxy)pyrene-1,3,6-trisulfonate IUPAC Name: 8-octadec-9-enoyloxypyrene-1,3,6-trisulfonate Traditional Name: 8-octadec-9-enoyloxypyrene-1,3,6-trisulfonate Formula: C34H39O11S3-3 MolecularWeight: 719.86186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=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

CCCCCCCCC=CCCCCCCCC(=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/C34H42O11S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(35)45-28-22-29(46(36,37)38)25-20-21-27-31(48(42,43)44)23-30(47(39,40)41)26-19-18-24(28)33(25)34(26)27/h9-10,18-23H,2-8,11-17H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)/p-3