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

Systemtic Name: copper; [4-[(Z)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]phenyl] 4-decoxybenzoate Openeye Name: [4-[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]phenyl] 4-decoxybenzoate; copper CAS Name: copper; 4-decoxybenzoic acid [4-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl] ester IUPAC Name: copper; [4-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl] 4-decoxybenzoate Traditional Name: copper; 4-decoxybenzoic acid [4-[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]phenyl] ester Formula: C56H72CuO10 MolecularWeight: 968.71088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C28H36O5.Cu/c2*1-4-5-6-7-8-9-10-11-20-32-25-16-14-24(15-17-25)28(31)33-26-18-12-23(13-19-26)27(21(2)29)22(3)30;/h2*12-19,29H,4-11,20H2,1-3H3;/b2*27-21+;