(3E)-6-hexyl-3-(5-phenyl-1,2-dihydro-1,2,4-triazol-3-ylidene)chromene-2,7-dione

Systemtic Name: (3E)-6-hexyl-3-(5-phenyl-1,2-dihydro-1,2,4-triazol-3-ylidene)chromene-2,7-dione Openeye Name: (3E)-6-hexyl-3-(5-phenyl-1,2-dihydro-1,2,4-triazol-3-ylidene)chromene-2,7-dione CAS Name: (3E)-6-hexyl-3-(5-phenyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-1-benzopyran-2,7-dione IUPAC Name: (3E)-6-hexyl-3-(5-phenyl-1,2-dihydro-1,2,4-triazol-3-ylidene)chromene-2,7-dione Traditional Name: (3E)-6-hexyl-3-(5-phenyl-1,2-dihydro-1,2,4-triazol-3-ylidene)chromene-2,7-quinone Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C3NNC(=N3)C4=CC=CC=C4)C(=O)OC2=CC1=O

Isomeric SMILES

CCCCCCC1=CC2=C/C(=C/3\NNC(=N3)C4=CC=CC=C4)/C(=O)OC2=CC1=O

InChI

InChI=1S/C23H23N3O3/c1-2-3-4-6-11-16-12-17-13-18(23(28)29-20(17)14-19(16)27)22-24-21(25-26-22)15-9-7-5-8-10-15/h5,7-10,12-14,26H,2-4,6,11H2,1H3,(H,24,25)/b22-18+