8-ethenoxy-7-(phenylmethyl)pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-ethenoxy-7-(phenylmethyl)pyrene-1,3,6-trisulfonic acid Openeye Name: 7-benzyl-8-vinyloxy-pyrene-1,3,6-trisulfonic acid CAS Name: 8-ethenoxy-7-(phenylmethyl)pyrene-1,3,6-trisulfonic acid IUPAC Name: 7-benzyl-8-ethenoxypyrene-1,3,6-trisulfonic acid Traditional Name: 7-benzyl-8-vinyloxy-pyrene-1,3,6-trisulfonic acid Formula: C25H18O10S3 MolecularWeight: 574.59942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=COC1=C(C(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C=COC1=C(C(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H18O10S3/c1-2-35-24-17-10-8-15-20(36(26,27)28)13-21(37(29,30)31)16-9-11-18(23(17)22(15)16)25(38(32,33)34)19(24)12-14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)