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

Systemtic Name: [3-methoxy-4-methoxycarbonyl-5-(2-oxidanylideneheptyl)phenyl] 4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoate Openeye Name: [3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate CAS Name: 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoic acid [3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl] ester IUPAC Name: [3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate Traditional Name: 2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoic acid [4-carbomethoxy-3-(2-ketoheptyl)-5-methoxy-phenyl] ester Formula: C31H40O9 MolecularWeight: 556.6439

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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)OC)OC)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H40O9/c1-6-8-10-12-22(32)14-20-16-24(37-3)18-26(34)28(20)31(36)40-25-17-21(15-23(33)13-11-9-7-2)29(30(35)39-5)27(19-25)38-4/h16-19,34H,6-15H2,1-5H3