[2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]methanesulfonate

Systemtic Name: [2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]methanesulfonate Openeye Name: [2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]methanesulfonate CAS Name: [2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]methanesulfonate IUPAC Name: [2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]methanesulfonate Traditional Name: [2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]methanesulfonate Formula: C30H24N2O5S MolecularWeight: 524.58696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)OC1=CC4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CS(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C/C4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CS(=O)(=O)[O-]

InChI

InChI=1S/C30H24N2O5S/c1-2-31-25-17-23(21-9-5-3-6-10-21)13-15-27(25)36-29(31)19-30-32(20-38(33,34)35)26-18-24(14-16-28(26)37-30)22-11-7-4-8-12-22/h3-19H,2,20H2,1H3