[2,3,4,5,6-pentakis(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [2,3,4,5,6-pentakis(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: (2,3,4,5,6-pentabenzoyloxycyclohexyl) benzoate CAS Name: benzoic acid (2,3,4,5,6-pentabenzoyloxycyclohexyl) ester IUPAC Name: (2,3,4,5,6-pentabenzoyloxycyclohexyl) benzoate Traditional Name: benzoic acid (2,3,4,5,6-pentabenzoyloxycyclohexyl) ester Formula: C48H36O12 MolecularWeight: 804.79224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C48H36O12/c49-43(31-19-7-1-8-20-31)55-37-38(56-44(50)32-21-9-2-10-22-32)40(58-46(52)34-25-13-4-14-26-34)42(60-48(54)36-29-17-6-18-30-36)41(59-47(53)35-27-15-5-16-28-35)39(37)57-45(51)33-23-11-3-12-24-33/h1-30,37-42H