2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,5-dioctadecyl-1,3-benzoxazol-3-ium

Systemtic Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,5-dioctadecyl-1,3-benzoxazol-3-ium Openeye Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,5-dioctadecyl-1,3-benzoxazol-3-ium CAS Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,5-dioctadecyl-1,3-benzoxazol-3-ium IUPAC Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,5-dioctadecyl-1,3-benzoxazol-3-ium Traditional Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,5-distearyl-1,3-benzoxazol-3-ium Formula: C53H85N2O2+ MolecularWeight: 782.2542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC2=C(C=C1)OC(=[N+]2CCCCCCCCCCCCCCCCCC)C=CC=C3NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC2=C(C=C1)OC(=[N+]2CCCCCCCCCCCCCCCCCC)/C=C/C=C\3/NC4=CC=CC=C4O3

InChI

InChI=1S/C53H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-47-43-44-51-49(46-47)55(53(57-51)42-37-41-52-54-48-39-34-35-40-50(48)56-52)45-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37,39-44,46H,3-33,36,38,45H2,1-2H3/p+1