[3-chloranyl-4-(4-pentylphenoxy)carbonyl-phenyl] 6-butylnaphthalene-2-carboxylate

Systemtic Name: [3-chloranyl-4-(4-pentylphenoxy)carbonyl-phenyl] 6-butylnaphthalene-2-carboxylate Openeye Name: [3-chloro-4-(4-pentylphenoxy)carbonyl-phenyl] 6-butylnaphthalene-2-carboxylate CAS Name: 6-butyl-2-naphthalenecarboxylic acid [3-chloro-4-[oxo-(4-pentylphenoxy)methyl]phenyl] ester IUPAC Name: [3-chloro-4-(4-pentylphenoxy)carbonylphenyl] 6-butylnaphthalene-2-carboxylate Traditional Name: 6-butylnaphthalene-2-carboxylic acid [4-(4-amylphenoxy)carbonyl-3-chloro-phenyl] ester Formula: C33H33ClO4 MolecularWeight: 529.06572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC4=C(C=C3)C=C(C=C4)CCCC)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC4=C(C=C3)C=C(C=C4)CCCC)Cl

InChI

InChI=1S/C33H33ClO4/c1-3-5-7-9-23-11-16-28(17-12-23)37-33(36)30-19-18-29(22-31(30)34)38-32(35)27-15-14-25-20-24(8-6-4-2)10-13-26(25)21-27/h10-22H,3-9H2,1-2H3