5-methoxybenzene-1,3-diol; 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]pyridine

Systemtic Name: 5-methoxybenzene-1,3-diol; 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]pyridine Openeye Name: 5-methoxybenzene-1,3-diol; 4-[(1E,3E)-4-(4-pyridyl)buta-1,3-dienyl]pyridine CAS Name: 5-methoxybenzene-1,3-diol; 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]pyridine IUPAC Name: 5-methoxybenzene-1,3-diol; 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]pyridine Traditional Name: 5-methoxyresorcinol; 4-[(1E,3E)-4-(4-pyridyl)buta-1,3-dienyl]pyridine Formula: C42H40N4O6 MolecularWeight: 696.7902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)O)O.COC1=CC(=CC(=C1)O)O.C1=CN=CC=C1C=CC=CC2=CC=NC=C2.C1=CN=CC=C1C=CC=CC2=CC=NC=C2

Isomeric SMILES

COC1=CC(=CC(=C1)O)O.COC1=CC(=CC(=C1)O)O.C1=CN=CC=C1/C=C/C=C/C2=CC=NC=C2.C1=CN=CC=C1/C=C/C=C/C2=CC=NC=C2

InChI

InChI=1S/2C14H12N2.2C7H8O3/c2*1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14;2*1-10-7-3-5(8)2-6(9)4-7/h2*1-12H;2*2-4,8-9H,1H3/b2*3-1+,4-2+;;