4-(2-chloranylpentyl)-3-decanoyloxy-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 4-(2-chloranylpentyl)-3-decanoyloxy-2-methyl-6-phenyl-benzoic acid Openeye Name: 4-(2-chloropentyl)-3-decanoyloxy-2-methyl-6-phenyl-benzoic acid CAS Name: 4-(2-chloropentyl)-2-methyl-3-(1-oxodecoxy)-6-phenylbenzoic acid IUPAC Name: 4-(2-chloropentyl)-3-decanoyloxy-2-methyl-6-phenylbenzoic acid Traditional Name: 3-capryloxy-4-(2-chloropentyl)-2-methyl-6-phenyl-benzoic acid Formula: C29H39ClO4 MolecularWeight: 487.07056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=C(C(=C1C)C(=O)O)C2=CC=CC=C2)CC(CCC)Cl

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=C(C(=C1C)C(=O)O)C2=CC=CC=C2)CC(CCC)Cl

InChI

InChI=1S/C29H39ClO4/c1-4-6-7-8-9-10-14-18-26(31)34-28-21(3)27(29(32)33)25(22-16-12-11-13-17-22)20-23(28)19-24(30)15-5-2/h11-13,16-17,20,24H,4-10,14-15,18-19H2,1-3H3,(H,32,33)