2-[(E)-2-[(Z)-(3,5-diphenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-ethynyl-5-phenyl-1,3-benzoxazol-3-ium

Systemtic Name: 2-[(E)-2-[(Z)-(3,5-diphenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-ethynyl-5-phenyl-1,3-benzoxazol-3-ium Openeye Name: 2-[(E)-2-[(Z)-(3,5-diphenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-ethynyl-5-phenyl-1,3-benzoxazol-3-ium CAS Name: 2-[(E)-2-[(Z)-(3,5-diphenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-ethynyl-5-phenyl-1,3-benzoxazol-3-ium IUPAC Name: 2-[(E)-2-[(Z)-(3,5-diphenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-ethynyl-5-phenyl-1,3-benzoxazol-3-ium Traditional Name: 2-[(E)-2-[(Z)-(3,5-diphenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-ethynyl-5-phenyl-1,3-benzoxazol-3-ium Formula: C39H29N2O2+ MolecularWeight: 557.65976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C#C)C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C#C)/C=C\4/N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H29N2O2/c1-3-28(24-38-40(4-2)34-26-31(20-22-36(34)42-38)29-14-8-5-9-15-29)25-39-41(33-18-12-7-13-19-33)35-27-32(21-23-37(35)43-39)30-16-10-6-11-17-30/h2,5-27H,3H2,1H3/q+1