hexyl 3-(2-hexoxy-4-methyl-phenyl)carbonylbenzoate

Systemtic Name: hexyl 3-(2-hexoxy-4-methyl-phenyl)carbonylbenzoate Openeye Name: hexyl 3-(2-hexoxy-4-methyl-benzoyl)benzoate CAS Name: 3-[(2-hexoxy-4-methylphenyl)-oxomethyl]benzoic acid hexyl ester IUPAC Name: hexyl 3-(2-hexoxy-4-methylbenzoyl)benzoate Traditional Name: 3-(2-hexoxy-4-methyl-benzoyl)benzoic acid hexyl ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)C)C(=O)C2=CC(=CC=C2)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)C)C(=O)C2=CC(=CC=C2)C(=O)OCCCCCC

InChI

InChI=1S/C27H36O4/c1-4-6-8-10-17-30-25-19-21(3)15-16-24(25)26(28)22-13-12-14-23(20-22)27(29)31-18-11-9-7-5-2/h12-16,19-20H,4-11,17-18H2,1-3H3