3-nonyl-7-[5-nonyl-3,6-bis(oxidanylidene)oxan-2-yl]oxepane-2,5-dione

Systemtic Name: 3-nonyl-7-[5-nonyl-3,6-bis(oxidanylidene)oxan-2-yl]oxepane-2,5-dione Openeye Name: 3-nonyl-7-(5-nonyl-3,6-dioxo-tetrahydropyran-2-yl)oxepane-2,5-dione CAS Name: 3-nonyl-7-(5-nonyl-3,6-dioxo-2-oxanyl)oxepane-2,5-dione IUPAC Name: 3-nonyl-7-(5-nonyl-3,6-dioxooxan-2-yl)oxepane-2,5-dione Traditional Name: 7-(3,6-diketo-5-nonyl-tetrahydropyran-2-yl)-3-nonyl-oxepane-2,5-quinone Formula: C29H48O6 MolecularWeight: 492.68782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(=O)CC(OC1=O)C2C(=O)CC(C(=O)O2)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1CC(=O)CC(OC1=O)C2C(=O)CC(C(=O)O2)CCCCCCCCC

InChI

InChI=1S/C29H48O6/c1-3-5-7-9-11-13-15-17-22-19-24(30)21-26(34-28(22)32)27-25(31)20-23(29(33)35-27)18-16-14-12-10-8-6-4-2/h22-23,26-27H,3-21H2,1-2H3