6-[4,6-bis(4-methylphenyl)-2H-1,2,3-triazin-5-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4,6-bis(4-methylphenyl)-2H-1,2,3-triazin-5-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4,6-bis(p-tolyl)-2H-triazin-5-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[4,6-bis(4-methylphenyl)-2H-triazin-5-ylidene]-3-octoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4,6-bis(4-methylphenyl)-2H-triazin-5-ylidene]-3-octoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[4,6-bis(p-tolyl)-2H-triazin-5-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=O)C(=C2C(=NNN=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C=C1

Isomeric SMILES

CCCCCCCCOC1=CC(=O)C(=C2C(=NNN=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C=C1

InChI

InChI=1S/C31H35N3O2/c1-4-5-6-7-8-9-20-36-26-18-19-27(28(35)21-26)29-30(24-14-10-22(2)11-15-24)32-34-33-31(29)25-16-12-23(3)13-17-25/h10-19,21,34H,4-9,20H2,1-3H3