copper; [4-(2-ethanoyl-1-oxidanyl-3-oxidanylidene-but-1-enoxy)phenyl] 4-decoxybenzoate

Systemtic Name: copper; [4-(2-ethanoyl-1-oxidanyl-3-oxidanylidene-but-1-enoxy)phenyl] 4-decoxybenzoate Openeye Name: [4-(2-acetyl-1-hydroxy-3-oxo-but-1-enoxy)phenyl] 4-decoxybenzoate; copper CAS Name: copper; 4-decoxybenzoic acid [4-(2-acetyl-1-hydroxy-3-oxobut-1-enoxy)phenyl] ester IUPAC Name: [4-(2-acetyl-1-hydroxy-3-oxobut-1-enoxy)phenyl] 4-decoxybenzoate; copper Traditional Name: copper; 4-decoxybenzoic acid [4-(2-acetyl-1-hydroxy-3-keto-but-1-enoxy)phenyl] ester Formula: C58H72CuO14 MolecularWeight: 1056.72988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=C(C(=O)C)C(=O)C)O.CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=C(C(=O)C)C(=O)C)O.[Cu]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=C(C(=O)C)C(=O)C)O.CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=C(C(=O)C)C(=O)C)O.[Cu]

InChI

InChI=1S/2C29H36O7.Cu/c2*1-4-5-6-7-8-9-10-11-20-34-24-14-12-23(13-15-24)28(32)35-25-16-18-26(19-17-25)36-29(33)27(21(2)30)22(3)31;/h2*12-19,33H,4-11,20H2,1-3H3;