10,12-bis(4-hexylphenyl)-1-methyl-4,8-diphenyl-tridecane-1,2,5,6-tetracarboxylic acid

Systemtic Name: 10,12-bis(4-hexylphenyl)-1-methyl-4,8-diphenyl-tridecane-1,2,5,6-tetracarboxylic acid Openeye Name: 10,12-bis(4-hexylphenyl)-1-methyl-4,8-diphenyl-tridecane-1,2,5,6-tetracarboxylic acid CAS Name: 10,12-bis(4-hexylphenyl)-1-methyl-4,8-diphenyltridecane-1,2,5,6-tetracarboxylic acid IUPAC Name: 10,12-bis(4-hexylphenyl)-1-methyl-4,8-diphenyltridecane-1,2,5,6-tetracarboxylic acid Traditional Name: 10,12-bis(4-hexylphenyl)-1-methyl-4,8-diphenyl-tridecane-1,2,5,6-tetracarboxylic acid Formula: C54H70O8 MolecularWeight: 847.1288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(C)CC(CC(CC(C(C(CC(C(C)C(=O)O)C(=O)O)C2=CC=CC=C2)C(=O)O)C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(C)CC(CC(CC(C(C(CC(C(C)C(=O)O)C(=O)O)C2=CC=CC=C2)C(=O)O)C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)CCCCCC

InChI

InChI=1S/C54H70O8/c1-5-7-9-13-19-39-25-29-41(30-26-39)37(3)33-45(43-31-27-40(28-32-43)20-14-10-8-6-2)34-46(42-21-15-11-16-22-42)35-49(53(59)60)50(54(61)62)48(44-23-17-12-18-24-44)36-47(52(57)58)38(4)51(55)56/h11-12,15-18,21-32,37-38,45-50H,5-10,13-14,19-20,33-36H2,1-4H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)