(5-chloranyl-2,3-dipentoxy-4-propanoyloxy-naphthalen-1-yl) butanoate

Systemtic Name: (5-chloranyl-2,3-dipentoxy-4-propanoyloxy-naphthalen-1-yl) butanoate Openeye Name: (5-chloro-2,3-dipentoxy-4-propanoyloxy-1-naphthyl) butanoate CAS Name: butanoic acid [5-chloro-4-(1-oxopropoxy)-2,3-dipentoxy-1-naphthalenyl] ester IUPAC Name: (5-chloro-2,3-dipentoxy-4-propanoyloxynaphthalen-1-yl) butanoate Traditional Name: butyric acid (2,3-diamoxy-5-chloro-4-propionyloxy-1-naphthyl) ester Formula: C27H37ClO6 MolecularWeight: 493.03208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C(=CC=C2)Cl)C(=C1OCCCCC)OC(=O)CC)OC(=O)CCC

Isomeric SMILES

CCCCCOC1=C(C2=C(C(=CC=C2)Cl)C(=C1OCCCCC)OC(=O)CC)OC(=O)CCC

InChI

InChI=1S/C27H37ClO6/c1-5-9-11-17-31-26-24(34-22(30)14-7-3)19-15-13-16-20(28)23(19)25(33-21(29)8-4)27(26)32-18-12-10-6-2/h13,15-16H,5-12,14,17-18H2,1-4H3