2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]ethanesulfonic acid

Systemtic Name: 2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]ethanesulfonic acid Openeye Name: 2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]ethanesulfonic acid CAS Name: 2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]ethanesulfonic acid IUPAC Name: 2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]ethanesulfonic acid Traditional Name: 2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]ethanesulfonic acid Formula: C30H27N2O5S+ MolecularWeight: 527.61078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCS(=O)(=O)O

InChI

InChI=1S/C30H26N2O5S/c1-31-25-18-23(21-8-4-2-5-9-21)12-14-27(25)36-29(31)20-30-32(16-17-38(33,34)35)26-19-24(13-15-28(26)37-30)22-10-6-3-7-11-22/h2-15,18-19,30H,16-17,20H2,1H3/p+1