2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dioctadecyl-1,3-benzoxazol-3-ium

Systemtic Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dioctadecyl-1,3-benzoxazol-3-ium Openeye Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dioctadecyl-1,3-benzoxazol-3-ium CAS Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dioctadecyl-1,3-benzoxazol-3-ium IUPAC Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dioctadecyl-1,3-benzoxazol-3-ium Traditional Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-distearyl-1,3-benzoxazol-3-ium Formula: C53H85N2O2+ MolecularWeight: 782.2542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C2C(=CC=C1)OC(=[N+]2CCCCCCCCCCCCCCCCCC)C=CC=C3NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C2C(=CC=C1)OC(=[N+]2CCCCCCCCCCCCCCCCCC)/C=C/C=C\3/NC4=CC=CC=C4O3

InChI

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