[8-chloranyl-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-naphthalen-1-yl] octanoate

Systemtic Name: [8-chloranyl-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-naphthalen-1-yl] octanoate Openeye Name: [8-chloro-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-1-naphthyl] octanoate CAS Name: octanoic acid [8-chloro-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-1-naphthalenyl] ester IUPAC Name: [8-chloro-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxynaphthalen-1-yl] octanoate Traditional Name: caprylic acid [8-chloro-4-(3,5-dimethylbenzyl)oxy-2,3-dihexoxy-1-naphthyl] ester Formula: C39H55ClO5 MolecularWeight: 639.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)Cl)OCC3=CC(=CC(=C3)C)C)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)Cl)OCC3=CC(=CC(=C3)C)C)OCCCCCC)OCCCCCC

InChI

InChI=1S/C39H55ClO5/c1-6-9-12-15-16-22-34(41)45-37-35-32(20-19-21-33(35)40)36(44-28-31-26-29(4)25-30(5)27-31)38(42-23-17-13-10-7-2)39(37)43-24-18-14-11-8-3/h19-21,25-27H,6-18,22-24,28H2,1-5H3