4-[2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonate Openeye Name: 4-[2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonate CAS Name: 4-[2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]-1-butanesulfonate IUPAC Name: 4-[2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonate Traditional Name: 4-[2-[(E)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-1-sulfonate Formula: C33H30N2O5S MolecularWeight: 566.6667

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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)CCCCS(=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)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/h3-8,11-18,21-23H,2,9-10,19-20H2,1H3