copper; [4-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]oxycarbonylphenyl] 4-decoxybenzoate

Systemtic Name: copper; [4-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]oxycarbonylphenyl] 4-decoxybenzoate Openeye Name: [4-[(E)-1-acetyl-2-hydroxy-prop-1-enoxy]carbonylphenyl] 4-decoxybenzoate; copper CAS Name: copper; 4-decoxybenzoic acid [4-[[(E)-2-hydroxy-4-oxopent-2-en-3-yl]oxy-oxomethyl]phenyl] ester IUPAC Name: copper; [4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]oxycarbonylphenyl] 4-decoxybenzoate Traditional Name: copper; 4-decoxybenzoic acid [4-[(E)-1-acetyl-2-hydroxy-prop-1-enoxy]carbonylphenyl] 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)C(=O)OC(=C(C)O)C(=O)C.CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(=C(C)O)C(=O)C.[Cu]

Isomeric SMILES

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

InChI

InChI=1S/2C29H36O7.Cu/c2*1-4-5-6-7-8-9-10-11-20-34-25-16-12-23(13-17-25)28(32)35-26-18-14-24(15-19-26)29(33)36-27(21(2)30)22(3)31;/h2*12-19,30H,4-11,20H2,1-3H3;/b2*27-21+;