pentamethyl (3E,8E)-13-oxidanylidenecyclopentadeca-3,8-diene-1,1,6,6,11-pentacarboxylate

Systemtic Name: pentamethyl (3E,8E)-13-oxidanylidenecyclopentadeca-3,8-diene-1,1,6,6,11-pentacarboxylate Openeye Name: pentamethyl (3E,8E)-13-oxocyclopentadeca-3,8-diene-1,1,6,6,11-pentacarboxylate CAS Name: (3E,8E)-13-oxocyclopentadeca-3,8-diene-1,1,6,6,11-pentacarboxylic acid pentamethyl ester IUPAC Name: pentamethyl (3E,8E)-13-oxocyclopentadeca-3,8-diene-1,1,6,6,11-pentacarboxylate Traditional Name: (3E,8E)-13-ketocyclopentadeca-3,8-diene-1,1,6,6,11-pentacarboxylic acid pentamethyl ester Formula: C25H34O11 MolecularWeight: 510.53086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC(CC=CCC(CCC(=O)C1)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1C/C=C/CC(C/C=C/CC(CCC(=O)C1)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H34O11/c1-32-19(27)17-10-6-7-12-24(20(28)33-2,21(29)34-3)13-8-9-14-25(22(30)35-4,23(31)36-5)15-11-18(26)16-17/h6-9,17H,10-16H2,1-5H3/b7-6+,9-8+