copper; [4-[(Z)-3-ethanoyl-4-oxidanyl-pent-3-enyl]phenyl] 4-decoxybenzoate

Systemtic Name: copper; [4-[(Z)-3-ethanoyl-4-oxidanyl-pent-3-enyl]phenyl] 4-decoxybenzoate Openeye Name: [4-[(Z)-3-acetyl-4-hydroxy-pent-3-enyl]phenyl] 4-decoxybenzoate; copper CAS Name: copper; 4-decoxybenzoic acid [4-[(Z)-3-acetyl-4-hydroxypent-3-enyl]phenyl] ester IUPAC Name: [4-[(Z)-3-acetyl-4-hydroxypent-3-enyl]phenyl] 4-decoxybenzoate; copper Traditional Name: copper; 4-decoxybenzoic acid [4-[(Z)-3-acetyl-4-hydroxy-pent-3-enyl]phenyl] ester Formula: C60H80CuO10 MolecularWeight: 1024.8172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C30H40O5.Cu/c2*1-4-5-6-7-8-9-10-11-22-34-27-19-15-26(16-20-27)30(33)35-28-17-12-25(13-18-28)14-21-29(23(2)31)24(3)32;/h2*12-13,15-20,31H,4-11,14,21-22H2,1-3H3;/b2*29-23-;