[3-oxidanyl-5-(2-oxidanylideneheptyl)-4-phenylmethoxycarbonyl-phenyl] 4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoate

Systemtic Name: [3-oxidanyl-5-(2-oxidanylideneheptyl)-4-phenylmethoxycarbonyl-phenyl] 4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoate Openeye Name: [4-benzyloxycarbonyl-3-hydroxy-5-(2-oxoheptyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate CAS Name: 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoic acid [3-hydroxy-5-(2-oxoheptyl)-4-phenylmethoxycarbonylphenyl] ester IUPAC Name: [3-hydroxy-5-(2-oxoheptyl)-4-phenylmethoxycarbonylphenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate Traditional Name: 2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoic acid [4-carbobenzoxy-3-hydroxy-5-(2-ketoheptyl)phenyl] ester Formula: C36H42O9 MolecularWeight: 618.71328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)CC(=O)CCCCC)C(=O)OCC3=CC=CC=C3)O)O)OC

Isomeric SMILES

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)CC(=O)CCCCC)C(=O)OCC3=CC=CC=C3)O)O)OC

InChI

InChI=1S/C36H42O9/c1-4-6-9-15-27(37)17-25-19-29(43-3)21-31(39)34(25)36(42)45-30-20-26(18-28(38)16-10-7-5-2)33(32(40)22-30)35(41)44-23-24-13-11-8-12-14-24/h8,11-14,19-22,39-40H,4-7,9-10,15-18,23H2,1-3H3