bis[[2,6-bis(oxidanyl)-3,5-bis(phenylcarbonyl)phenyl]methyl] octanedioate

Systemtic Name: bis[[2,6-bis(oxidanyl)-3,5-bis(phenylcarbonyl)phenyl]methyl] octanedioate Openeye Name: bis[(3,5-dibenzoyl-2,6-dihydroxy-phenyl)methyl] octanedioate CAS Name: octanedioic acid bis[(3,5-dibenzoyl-2,6-dihydroxyphenyl)methyl] ester IUPAC Name: bis[(3,5-dibenzoyl-2,6-dihydroxyphenyl)methyl] octanedioate Traditional Name: suberic acid bis(3,5-dibenzoyl-2,6-dihydroxy-benzyl) ester Formula: C50H42O12 MolecularWeight: 834.86128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2O)COC(=O)CCCCCCC(=O)OCC3=C(C(=CC(=C3O)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)O)O)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2O)COC(=O)CCCCCCC(=O)OCC3=C(C(=CC(=C3O)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)O)O)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C50H42O12/c51-41(61-29-39-47(57)35(43(53)31-17-7-3-8-18-31)27-36(48(39)58)44(54)32-19-9-4-10-20-32)25-15-1-2-16-26-42(52)62-30-40-49(59)37(45(55)33-21-11-5-12-22-33)28-38(50(40)60)46(56)34-23-13-6-14-24-34/h3-14,17-24,27-28,57-60H,1-2,15-16,25-26,29-30H2