[4-(4-octylphenoxy)carbonylphenyl] 2-methylbenzoate

Systemtic Name: [4-(4-octylphenoxy)carbonylphenyl] 2-methylbenzoate Openeye Name: [4-(4-octylphenoxy)carbonylphenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(4-octylphenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-octylphenoxy)carbonylphenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-(4-octylphenoxy)carbonylphenyl] ester Formula: C29H32O4 MolecularWeight: 444.56198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C29H32O4/c1-3-4-5-6-7-8-12-23-14-18-25(19-15-23)32-28(30)24-16-20-26(21-17-24)33-29(31)27-13-10-9-11-22(27)2/h9-11,13-21H,3-8,12H2,1-2H3