dimethyl 2,2-bis[3,5-bis(2-methylhexan-2-yl)-4-oxidanyl-phenyl]butanedioate

Systemtic Name: dimethyl 2,2-bis[3,5-bis(2-methylhexan-2-yl)-4-oxidanyl-phenyl]butanedioate Openeye Name: dimethyl 2,2-bis[3,5-bis(1,1-dimethylpentyl)-4-hydroxy-phenyl]butanedioate CAS Name: 2,2-bis[4-hydroxy-3,5-bis(2-methylhexan-2-yl)phenyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2,2-bis[4-hydroxy-3,5-bis(2-methylhexan-2-yl)phenyl]butanedioate Traditional Name: 2,2-bis[3,5-bis(1,1-dimethylpentyl)-4-hydroxy-phenyl]succinic acid dimethyl ester Formula: C46H74O6 MolecularWeight: 723.07616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCC)C(CC(=O)OC)(C2=CC(=C(C(=C2)C(C)(C)CCCC)O)C(C)(C)CCCC)C(=O)OC

Isomeric SMILES

CCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCC)C(CC(=O)OC)(C2=CC(=C(C(=C2)C(C)(C)CCCC)O)C(C)(C)CCCC)C(=O)OC

InChI

InChI=1S/C46H74O6/c1-15-19-23-42(5,6)34-27-32(28-35(39(34)48)43(7,8)24-20-16-2)46(41(50)52-14,31-38(47)51-13)33-29-36(44(9,10)25-21-17-3)40(49)37(30-33)45(11,12)26-22-18-4/h27-30,48-49H,15-26,31H2,1-14H3