[4-acetyloxy-5-chloranyl-2,3-bis(4-methylpentoxy)naphthalen-1-yl] pentanoate

Systemtic Name: [4-acetyloxy-5-chloranyl-2,3-bis(4-methylpentoxy)naphthalen-1-yl] pentanoate Openeye Name: (4-acetoxy-5-chloro-2,3-diisohexyloxy-1-naphthyl) pentanoate CAS Name: pentanoic acid [4-acetyloxy-5-chloro-2,3-bis(4-methylpentoxy)-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-5-chloro-2,3-bis(4-methylpentoxy)naphthalen-1-yl] pentanoate Traditional Name: valeric acid (4-acetoxy-5-chloro-2,3-diisohexyloxy-1-naphthyl) ester Formula: C29H41ClO6 MolecularWeight: 521.08524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OC(=O)C)OCCCC(C)C)OCCCC(C)C

Isomeric SMILES

CCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OC(=O)C)OCCCC(C)C)OCCCC(C)C

InChI

InChI=1S/C29H41ClO6/c1-7-8-16-24(32)36-26-22-14-9-15-23(30)25(22)27(35-21(6)31)29(34-18-11-13-20(4)5)28(26)33-17-10-12-19(2)3/h9,14-15,19-20H,7-8,10-13,16-18H2,1-6H3