8-prop-2-enoxypyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-prop-2-enoxypyrene-1,3,6-trisulfonic acid Openeye Name: 8-allyloxypyrene-1,3,6-trisulfonic acid CAS Name: 8-prop-2-enoxypyrene-1,3,6-trisulfonic acid IUPAC Name: 8-prop-2-enoxypyrene-1,3,6-trisulfonic acid Traditional Name: 8-allyloxypyrene-1,3,6-trisulfonic acid Formula: C19H14O10S3 MolecularWeight: 498.50346

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CCOC1=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/C19H14O10S3/c1-2-7-29-14-8-15(30(20,21)22)11-5-6-13-17(32(26,27)28)9-16(31(23,24)25)12-4-3-10(14)18(11)19(12)13/h2-6,8-9H,1,7H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)