3,5-bis[(3-cyclohexyl-4-oxidanyl-phenyl)methyl]heptan-4-yl benzoate

Systemtic Name: 3,5-bis[(3-cyclohexyl-4-oxidanyl-phenyl)methyl]heptan-4-yl benzoate Openeye Name: [2-[(3-cyclohexyl-4-hydroxy-phenyl)methyl]-1-[1-[(3-cyclohexyl-4-hydroxy-phenyl)methyl]propyl]butyl] benzoate CAS Name: benzoic acid 3,5-bis[(3-cyclohexyl-4-hydroxyphenyl)methyl]heptan-4-yl ester IUPAC Name: 3,5-bis[(3-cyclohexyl-4-hydroxyphenyl)methyl]heptan-4-yl benzoate Traditional Name: benzoic acid [2-(3-cyclohexyl-4-hydroxy-benzyl)-1-[1-(3-cyclohexyl-4-hydroxy-benzyl)propyl]butyl] ester Formula: C40H52O4 MolecularWeight: 596.83848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)O)C2CCCCC2)C(C(CC)CC3=CC(=C(C=C3)O)C4CCCCC4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)O)C2CCCCC2)C(C(CC)CC3=CC(=C(C=C3)O)C4CCCCC4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H52O4/c1-3-30(24-28-20-22-37(41)35(26-28)32-14-8-5-9-15-32)39(44-40(43)34-18-12-7-13-19-34)31(4-2)25-29-21-23-38(42)36(27-29)33-16-10-6-11-17-33/h7,12-13,18-23,26-27,30-33,39,41-42H,3-6,8-11,14-17,24-25H2,1-2H3