(1E,3E,5E)-4-butoxycarbonyl-1,6-diphenyl-hexa-1,3,5-triene-2-sulfonic acid

Systemtic Name: (1E,3E,5E)-4-butoxycarbonyl-1,6-diphenyl-hexa-1,3,5-triene-2-sulfonic acid Openeye Name: (1E,3E,5E)-4-butoxycarbonyl-1,6-diphenyl-hexa-1,3,5-triene-2-sulfonic acid CAS Name: (1E,3E,5E)-4-[butoxy(oxo)methyl]-1,6-diphenyl-2-hexa-1,3,5-trienesulfonic acid IUPAC Name: (1E,3E,5E)-4-butoxycarbonyl-1,6-diphenylhexa-1,3,5-triene-2-sulfonic acid Traditional Name: (1E,3E,5E)-4-butoxycarbonyl-1,6-diphenyl-hexa-1,3,5-triene-2-sulfonic acid Formula: C23H24O5S MolecularWeight: 412.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC(=CC1=CC=CC=C1)S(=O)(=O)O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)/C(=C/C(=C\C1=CC=CC=C1)/S(=O)(=O)O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C23H24O5S/c1-2-3-16-28-23(24)21(15-14-19-10-6-4-7-11-19)18-22(29(25,26)27)17-20-12-8-5-9-13-20/h4-15,17-18H,2-3,16H2,1H3,(H,25,26,27)/b15-14+,21-18+,22-17+