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

Systemtic Name: [6-bromanyl-5-(4-octoxyphenyl)carbonyloxy-2-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl] 4-octoxybenzoate Openeye Name: [6-bromo-5-(4-octoxybenzoyl)oxy-2-[(E)-2-(4-pyridyl)vinyl]-1-naphthyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [6-bromo-5-[(4-octoxyphenyl)-oxomethoxy]-2-[(E)-2-pyridin-4-ylethenyl]-1-naphthalenyl] ester IUPAC Name: [6-bromo-5-(4-octoxybenzoyl)oxy-2-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [6-bromo-5-(4-octoxybenzoyl)oxy-2-[(E)-2-(4-pyridyl)vinyl]-1-naphthyl] ester Formula: C47H52BrNO6 MolecularWeight: 806.82288

Click to see the large picture

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)Br)C=CC5=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C47H52BrNO6/c1-3-5-7-9-11-13-33-52-39-22-17-37(18-23-39)46(50)54-44-36(16-15-35-29-31-49-32-30-35)21-26-42-41(44)27-28-43(48)45(42)55-47(51)38-19-24-40(25-20-38)53-34-14-12-10-8-6-4-2/h15-32H,3-14,33-34H2,1-2H3/b16-15+