propan-2-yl (E)-11-[3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]undec-9-enoate

Systemtic Name: propan-2-yl (E)-11-[3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]undec-9-enoate Openeye Name: isopropyl (E)-11-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]undec-9-enoate CAS Name: (E)-11-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-9-undecenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-11-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]undec-9-enoate Traditional Name: (E)-11-[3,5-dihydroxy-2-(3-ketodecyl)cyclopentyl]undec-9-enoic acid isopropyl ester Formula: C29H52O5 MolecularWeight: 480.72018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCCCCCC(=O)OC(C)C)O)O

Isomeric SMILES

CCCCCCCC(=O)CCC1C(CC(C1C/C=C/CCCCCCCC(=O)OC(C)C)O)O

InChI

InChI=1S/C29H52O5/c1-4-5-6-11-14-17-24(30)20-21-26-25(27(31)22-28(26)32)18-15-12-9-7-8-10-13-16-19-29(33)34-23(2)3/h12,15,23,25-28,31-32H,4-11,13-14,16-22H2,1-3H3/b15-12+