[3-(6-bromanylhexyl)-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate

Systemtic Name: [3-(6-bromanylhexyl)-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate Openeye Name: [3-(6-bromohexyl)-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(6-bromohexyl)-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-(6-bromohexyl)-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(6-bromohexyl)-2-p-toluoyloxy-phenyl] ester Formula: C28H29BrO4 MolecularWeight: 509.43146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2OC(=O)C3=CC=C(C=C3)C)CCCCCCBr

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2OC(=O)C3=CC=C(C=C3)C)CCCCCCBr

InChI

InChI=1S/C28H29BrO4/c1-20-11-15-23(16-12-20)27(30)32-25-10-7-9-22(8-5-3-4-6-19-29)26(25)33-28(31)24-17-13-21(2)14-18-24/h7,9-18H,3-6,8,19H2,1-2H3