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

Systemtic Name: [3-chloranyl-4-(4-pentylphenoxy)carbonyl-phenyl] 6-pentylnaphthalene-2-carboxylate Openeye Name: [3-chloro-4-(4-pentylphenoxy)carbonyl-phenyl] 6-pentylnaphthalene-2-carboxylate CAS Name: 6-pentyl-2-naphthalenecarboxylic acid [3-chloro-4-[oxo-(4-pentylphenoxy)methyl]phenyl] ester IUPAC Name: [3-chloro-4-(4-pentylphenoxy)carbonylphenyl] 6-pentylnaphthalene-2-carboxylate Traditional Name: 6-amylnaphthalene-2-carboxylic acid [4-(4-amylphenoxy)carbonyl-3-chloro-phenyl] ester Formula: C34H35ClO4 MolecularWeight: 543.0923

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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)CCCCC)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)CCCCC)Cl

InChI

InChI=1S/C34H35ClO4/c1-3-5-7-9-24-12-17-29(18-13-24)38-34(37)31-20-19-30(23-32(31)35)39-33(36)28-16-15-26-21-25(10-8-6-4-2)11-14-27(26)22-28/h11-23H,3-10H2,1-2H3