(6E)-6-(2,4-diphenyl-1H-pyrimidin-6-ylidene)-3-octoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(2,4-diphenyl-1H-pyrimidin-6-ylidene)-3-octoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(2,4-diphenyl-1H-pyrimidin-6-ylidene)-3-octoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(2,4-diphenyl-1H-pyrimidin-6-ylidene)-3-octoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2,4-diphenyl-1H-pyrimidin-6-ylidene)-3-octoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(2,4-diphenyl-1H-pyrimidin-6-ylidene)-3-octoxy-cyclohexa-2,4-dien-1-one Formula: C30H32N2O2 MolecularWeight: 452.58728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=O)C(=C2C=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

CCCCCCCCOC1=CC(=O)/C(=C/2\C=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)/C=C1

InChI

InChI=1S/C30H32N2O2/c1-2-3-4-5-6-13-20-34-25-18-19-26(29(33)21-25)28-22-27(23-14-9-7-10-15-23)31-30(32-28)24-16-11-8-12-17-24/h7-12,14-19,21-22H,2-6,13,20H2,1H3,(H,31,32)/b28-26+