[4-[2,4-bis(3-methylpentanoyloxy)phenyl]carbonyl-3-(3-methylpentanoyloxy)phenyl] 3-methylpentanoate

Systemtic Name: [4-[2,4-bis(3-methylpentanoyloxy)phenyl]carbonyl-3-(3-methylpentanoyloxy)phenyl] 3-methylpentanoate Openeye Name: [4-[2,4-bis(3-methylpentanoyloxy)benzoyl]-3-(3-methylpentanoyloxy)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-[[2,4-bis(3-methyl-1-oxopentoxy)phenyl]-oxomethyl]-3-(3-methyl-1-oxopentoxy)phenyl] ester IUPAC Name: [4-[2,4-bis(3-methylpentanoyloxy)benzoyl]-3-(3-methylpentanoyloxy)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-[2,4-bis(3-methylpentanoyloxy)benzoyl]-3-(3-methylpentanoyloxy)phenyl] ester Formula: C37H50O9 MolecularWeight: 638.7875

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC(=O)CC(C)CC)OC(=O)CC(C)CC)OC(=O)CC(C)CC

Isomeric SMILES

CCC(C)CC(=O)OC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC(=O)CC(C)CC)OC(=O)CC(C)CC)OC(=O)CC(C)CC

InChI

InChI=1S/C37H50O9/c1-9-23(5)17-33(38)43-27-13-15-29(31(21-27)45-35(40)19-25(7)11-3)37(42)30-16-14-28(44-34(39)18-24(6)10-2)22-32(30)46-36(41)20-26(8)12-4/h13-16,21-26H,9-12,17-20H2,1-8H3