[5-(4-octoxyphenyl)carbonyloxy-2,6-bis[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl] 4-octoxybenzoate

Systemtic Name: [5-(4-octoxyphenyl)carbonyloxy-2,6-bis[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl] 4-octoxybenzoate Openeye Name: [5-(4-octoxybenzoyl)oxy-2,6-bis[(E)-2-(4-pyridyl)vinyl]-1-naphthyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [5-[(4-octoxyphenyl)-oxomethoxy]-2,6-bis[(E)-2-pyridin-4-ylethenyl]-1-naphthalenyl] ester IUPAC Name: [5-(4-octoxybenzoyl)oxy-2,6-bis[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [5-(4-octoxybenzoyl)oxy-2,6-bis[(E)-2-(4-pyridyl)vinyl]-1-naphthyl] ester Formula: C54H58N2O6 MolecularWeight: 831.04812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2C=CC(=C3OC(=O)C4=CC=C(C=C4)OCCCCCCCC)C=CC5=CC=NC=C5)C=CC6=CC=NC=C6

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2C=CC(=C3OC(=O)C4=CC=C(C=C4)OCCCCCCCC)/C=C/C5=CC=NC=C5)/C=C/C6=CC=NC=C6

InChI

InChI=1S/C54H58N2O6/c1-3-5-7-9-11-13-39-59-47-25-19-45(20-26-47)53(57)61-51-43(17-15-41-31-35-55-36-32-41)23-30-50-49(51)29-24-44(18-16-42-33-37-56-38-34-42)52(50)62-54(58)46-21-27-48(28-22-46)60-40-14-12-10-8-6-4-2/h15-38H,3-14,39-40H2,1-2H3/b17-15+,18-16+