(4E)-4-(5-heptadecyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(5-heptadecyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(5-heptadecyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(5-heptadecyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(5-heptadecyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(5-heptadecyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C25H41N3O2 MolecularWeight: 415.61194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC(=C2C=CC(=O)C(=C2)O)NN1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=N/C(=C\2/C=CC(=O)C(=C2)O)/NN1

InChI

InChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-25(28-27-24)21-18-19-22(29)23(30)20-21/h18-20,28,30H,2-17H2,1H3,(H,26,27)/b25-21+