[4-(4-methylphenyl)carbonylphenyl] 3-chloranyl-4-octoxy-benzoate

Systemtic Name: [4-(4-methylphenyl)carbonylphenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-(4-methylbenzoyl)phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-[(4-methylphenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-methylbenzoyl)phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid (4-p-toluoylphenyl) ester Formula: C29H31ClO4 MolecularWeight: 479.00704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C29H31ClO4/c1-3-4-5-6-7-8-19-33-27-18-15-24(20-26(27)30)29(32)34-25-16-13-23(14-17-25)28(31)22-11-9-21(2)10-12-22/h9-18,20H,3-8,19H2,1-2H3