[4-(4-butylphenoxy)carbonyl-3-chloranyl-phenyl] 6-heptylnaphthalene-2-carboxylate

Systemtic Name: [4-(4-butylphenoxy)carbonyl-3-chloranyl-phenyl] 6-heptylnaphthalene-2-carboxylate Openeye Name: [4-(4-butylphenoxy)carbonyl-3-chloro-phenyl] 6-heptylnaphthalene-2-carboxylate CAS Name: 6-heptyl-2-naphthalenecarboxylic acid [4-[(4-butylphenoxy)-oxomethyl]-3-chlorophenyl] ester IUPAC Name: [4-(4-butylphenoxy)carbonyl-3-chlorophenyl] 6-heptylnaphthalene-2-carboxylate Traditional Name: 6-heptylnaphthalene-2-carboxylic acid [4-(4-butylphenoxy)carbonyl-3-chloro-phenyl] ester Formula: C35H37ClO4 MolecularWeight: 557.11888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC4=CC=C(C=C4)CCCC)Cl

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC4=CC=C(C=C4)CCCC)Cl

InChI

InChI=1S/C35H37ClO4/c1-3-5-7-8-9-11-26-12-15-28-23-29(17-16-27(28)22-26)34(37)40-31-20-21-32(33(36)24-31)35(38)39-30-18-13-25(14-19-30)10-6-4-2/h12-24H,3-11H2,1-2H3