8-[(E)-3-(2-hydroxyphenyl)but-2-enoyl]pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(E)-3-(2-hydroxyphenyl)but-2-enoyl]pyrene-1,3,6-trisulfonic acid Openeye Name: 8-[(E)-3-(2-hydroxyphenyl)but-2-enoyl]pyrene-1,3,6-trisulfonic acid CAS Name: 8-[(E)-3-(2-hydroxyphenyl)-1-oxobut-2-enyl]pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-[(E)-3-(2-hydroxyphenyl)but-2-enoyl]pyrene-1,3,6-trisulfonic acid Traditional Name: 8-[(E)-3-(2-hydroxyphenyl)but-2-enoyl]pyrene-1,3,6-trisulfonic acid Formula: C26H18O11S3 MolecularWeight: 602.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C5=CC=CC=C5O

Isomeric SMILES

C/C(=C\C(=O)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)/C5=CC=CC=C5O

InChI

InChI=1S/C26H18O11S3/c1-13(14-4-2-3-5-20(14)27)10-21(28)19-11-22(38(29,30)31)16-8-9-18-24(40(35,36)37)12-23(39(32,33)34)17-7-6-15(19)25(16)26(17)18/h2-12,27H,1H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/b13-10+