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

Systemtic Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dihexyl-1,3-benzoxazol-3-ium Openeye Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dihexyl-1,3-benzoxazol-3-ium CAS Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dihexyl-1,3-benzoxazol-3-ium IUPAC Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dihexyl-1,3-benzoxazol-3-ium Traditional Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dihexyl-1,3-benzoxazol-3-ium Formula: C29H37N2O2+ MolecularWeight: 445.61628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC=C1)OC(=[N+]2CCCCCC)C=CC=C3NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCC1=C2C(=CC=C1)OC(=[N+]2CCCCCC)/C=C/C=C\3/NC4=CC=CC=C4O3

InChI

InChI=1S/C29H36N2O2/c1-3-5-7-9-15-23-16-13-19-26-29(23)31(22-12-8-6-4-2)28(33-26)21-14-20-27-30-24-17-10-11-18-25(24)32-27/h10-11,13-14,16-21H,3-9,12,15,22H2,1-2H3/p+1