(5-chloranyl-2,3-dihexoxy-4-octanoyloxy-naphthalen-1-yl) octanoate

Systemtic Name: (5-chloranyl-2,3-dihexoxy-4-octanoyloxy-naphthalen-1-yl) octanoate Openeye Name: (5-chloro-2,3-dihexoxy-4-octanoyloxy-1-naphthyl) octanoate CAS Name: octanoic acid [5-chloro-2,3-dihexoxy-4-(1-oxooctoxy)-1-naphthalenyl] ester IUPAC Name: (5-chloro-2,3-dihexoxy-4-octanoyloxynaphthalen-1-yl) octanoate Traditional Name: caprylic acid (4-caprylyloxy-5-chloro-2,3-dihexoxy-1-naphthyl) ester Formula: C38H59ClO6 MolecularWeight: 647.32446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OC(=O)CCCCCCC)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OC(=O)CCCCCCC)OCCCCCC)OCCCCCC

InChI

InChI=1S/C38H59ClO6/c1-5-9-13-17-19-26-32(40)44-35-30-24-23-25-31(39)34(30)36(45-33(41)27-20-18-14-10-6-2)38(43-29-22-16-12-8-4)37(35)42-28-21-15-11-7-3/h23-25H,5-22,26-29H2,1-4H3