4-[2-[(3-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-[(3-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[5-phenyl-2-[(5-phenyl-3-vinyl-1,3-benzoxazol-3-ium-2-yl)methyl]-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[2-[(3-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[2-[(3-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methyl]-5-phenyl-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[5-phenyl-2-[(5-phenyl-3-vinyl-1,3-benzoxazol-3-ium-2-yl)methyl]-2H-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Formula: C33H31N2O5S+ MolecularWeight: 567.67464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H30N2O5S/c1-2-34-28-21-26(24-11-5-3-6-12-24)15-17-30(28)39-32(34)23-33-35(19-9-10-20-41(36,37)38)29-22-27(16-18-31(29)40-33)25-13-7-4-8-14-25/h2-8,11-18,21-22,33H,1,9-10,19-20,23H2/p+1