8-[(4-ethenylphenyl)methoxy]pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4-ethenylphenyl)methoxy]pyrene-1,3,6-trisulfonic acid Openeye Name: 8-[(4-vinylphenyl)methoxy]pyrene-1,3,6-trisulfonic acid CAS Name: 8-[(4-ethenylphenyl)methoxy]pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4-ethenylphenyl)methoxy]pyrene-1,3,6-trisulfonic acid Traditional Name: 8-(4-vinylbenzyl)oxypyrene-1,3,6-trisulfonic acid Formula: C25H18O10S3 MolecularWeight: 574.59942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CC1=CC=C(C=C1)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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